CID 3054340

71132-10-0

Structural Information

Molecular Formula
C17H18ClN5S
SMILES
CC(C)(C)N=C(NC1=C2C=CC(=CC2=NC=C1)Cl)NC3=NC=CS3
InChI
InChI=1S/C17H18ClN5S/c1-17(2,3)23-15(22-16-20-8-9-24-16)21-13-6-7-19-14-10-11(18)4-5-12(13)14/h4-10H,1-3H3,(H2,19,20,21,22,23)
InChIKey
HIYXLEGRPBEASW-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(7-chloroquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.09714 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10442 184.1
[M+Na]+ 382.08636 193.3
[M-H]- 358.08986 191.1
[M+NH4]+ 377.13096 198.7
[M+K]+ 398.06030 186.6
[M+H-H2O]+ 342.09440 175.8
[M+HCOO]- 404.09534 199.4
[M+CH3COO]- 418.11099 194.8
[M+Na-2H]- 380.07181 189.5
[M]+ 359.09659 189.3
[M]- 359.09769 189.3
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

No patent data available for this compound.