CID 3062335

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

Structural Information

Molecular Formula
C14H22N6OS
SMILES
C1CCC(CC1)NC(=O)N2CCC3=C(C2)SC(=N3)N=C(N)N
InChI
InChI=1S/C14H22N6OS/c15-12(16)19-13-18-10-6-7-20(8-11(10)22-13)14(21)17-9-4-2-1-3-5-9/h9H,1-8H2,(H,17,21)(H4,15,16,18,19)
InChIKey
QCXNBYRUMAYSHF-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-(diaminomethylideneamino)-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

8
Patents

322.1576 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16488 168.7
[M+Na]+ 345.14682 170.9
[M-H]- 321.15032 172.4
[M+NH4]+ 340.19142 182.0
[M+K]+ 361.12076 167.3
[M+H-H2O]+ 305.15486 160.0
[M+HCOO]- 367.15580 181.8
[M+CH3COO]- 381.17145 176.7
[M+Na-2H]- 343.13227 168.4
[M]+ 322.15705 160.7
[M]- 322.15815 160.7
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