CID 3062332

2-guanidino-5-(n-benzoyl-n'-methylguanyl)-4,5,6,7-tetrahydro-thiazolo(5,4-c)pyridine

Structural Information

Molecular Formula
C16H19N7OS
SMILES
CN=C(NC(=O)C1=CC=CC=C1)N2CCC3=C(C2)SC(=N3)N=C(N)N
InChI
InChI=1S/C16H19N7OS/c1-19-15(21-13(24)10-5-3-2-4-6-10)23-8-7-11-12(9-23)25-16(20-11)22-14(17)18/h2-6H,7-9H2,1H3,(H,19,21,24)(H4,17,18,20,22)
InChIKey
OWJJIHBYBSZYGT-UHFFFAOYSA-N
Compound name
N-[C-[2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-methylcarbonimidoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

357.13718 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14446 178.2
[M+Na]+ 380.12640 182.1
[M-H]- 356.12990 184.4
[M+NH4]+ 375.17100 190.6
[M+K]+ 396.10034 178.4
[M+H-H2O]+ 340.13444 168.7
[M+HCOO]- 402.13538 196.5
[M+CH3COO]- 416.15103 225.8
[M+Na-2H]- 378.11185 180.0
[M]+ 357.13663 174.8
[M]- 357.13773 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe