CID 3054296

71079-76-0

Structural Information

Molecular Formula
C19H21N5S
SMILES
C1CCC(CC1)N=C(NC2=CC=NC3=CC=CC=C32)NC4=NC=CS4
InChI
InChI=1S/C19H21N5S/c1-2-6-14(7-3-1)22-18(24-19-21-12-13-25-19)23-17-10-11-20-16-9-5-4-8-15(16)17/h4-5,8-14H,1-3,6-7H2,(H2,20,21,22,23,24)
InChIKey
GGQUUPIUXCYZNL-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-quinolin-4-yl-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.15176 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15904 175.1
[M+Na]+ 374.14098 180.1
[M-H]- 350.14448 183.6
[M+NH4]+ 369.18558 188.0
[M+K]+ 390.11492 173.9
[M+H-H2O]+ 334.14902 165.0
[M+HCOO]- 396.14996 193.4
[M+CH3COO]- 410.16561 184.6
[M+Na-2H]- 372.12643 180.3
[M]+ 351.15121 172.6
[M]- 351.15231 172.6
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.