PubChemLite - Thiazolo(5,4-c)pyridine-5(4h)-carboximidamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-n-methyl-n'-((4-methylphenyl)sulfonyl)- (C16H21N7O2S2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NC)N2CCC3=C(C2)SC(=N3)N=C(N)N

InChI

InChI=1S/C16H21N7O2S2/c1-10-3-5-11(6-4-10)27(24,25)22-15(19-2)23-8-7-12-13(9-23)26-16(20-12)21-14(17)18/h3-6H,7-9H2,1-2H3,(H,19,22)(H4,17,18,20,21)

InChIKey

GOPPRSAKKXCXHN-UHFFFAOYSA-N

Compound name

2-(diaminomethylideneamino)-N'-methyl-N-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	408.12708	185.6
[M+Na]+	430.10902	190.6
[M+NH4]+	425.15362	190.5
[M+K]+	446.08296	185.8
[M-H]-	406.11252	188.8
[M+Na-2H]-	428.09447	189.8
[M]+	407.11925	187.4
[M]-	407.12035	187.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

408.12708

185.6

[M+Na]+

430.10902

190.6

[M+NH4]+

425.15362

190.5

[M+K]+

446.08296

185.8

[M-H]-

406.11252

188.8

[M+Na-2H]-

428.09447

189.8

[M]+

407.11925

187.4

[M]-

407.12035

187.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Thiazolo(5,4-c)pyridine-5(4h)-carboximidamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-n-methyl-n'-((4-methylphenyl)sulfonyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe