CID 3062353

Thiazolo(5,4-c)pyridine-5(4h)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-n-propyl-

Structural Information

Molecular Formula
C11H18N6OS
SMILES
CCCNC(=O)N1CCC2=C(C1)SC(=N2)N=C(N)N
InChI
InChI=1S/C11H18N6OS/c1-2-4-14-11(18)17-5-3-7-8(6-17)19-10(15-7)16-9(12)13/h2-6H2,1H3,(H,14,18)(H4,12,13,15,16)
InChIKey
XPBZEJDGPJJTBJ-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)-N-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

282.12628 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13356 160.7
[M+Na]+ 305.11550 165.8
[M-H]- 281.11900 162.6
[M+NH4]+ 300.16010 176.4
[M+K]+ 321.08944 162.8
[M+H-H2O]+ 265.12354 152.7
[M+HCOO]- 327.12448 177.5
[M+CH3COO]- 341.14013 208.6
[M+Na-2H]- 303.10095 161.7
[M]+ 282.12573 158.0
[M]- 282.12683 158.0
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