CID 9819432

748758-45-4

Structural Information

Molecular Formula
C18H22N4OS
SMILES
CC1=C(SC2=NC3=C(N12)C=C(C=C3)N)C(=O)N(C)C4CCCCC4
InChI
InChI=1S/C18H22N4OS/c1-11-16(17(23)21(2)13-6-4-3-5-7-13)24-18-20-14-9-8-12(19)10-15(14)22(11)18/h8-10,13H,3-7,19H2,1-2H3
InChIKey
KCBXOMYXOBVLED-UHFFFAOYSA-N
Compound name
7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

71
Patents

342.15143 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15871 179.2
[M+Na]+ 365.14065 188.1
[M-H]- 341.14415 187.1
[M+NH4]+ 360.18525 196.6
[M+K]+ 381.11459 183.7
[M+H-H2O]+ 325.14869 172.0
[M+HCOO]- 387.14963 195.9
[M+CH3COO]- 401.16528 190.4
[M+Na-2H]- 363.12610 178.3
[M]+ 342.15088 182.2
[M]- 342.15198 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe