CID 51240

Brn 5617986

Structural Information

Molecular Formula
C19H21N5S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCC3)NC4=NC=CS4
InChI
InChI=1S/C19H21N5S/c1-13-12-17(15-8-4-5-9-16(15)21-13)23-18(22-14-6-2-3-7-14)24-19-20-10-11-25-19/h4-5,8-12,14H,2-3,6-7H2,1H3,(H2,20,21,22,23,24)
InChIKey
RIKFPNXOGXBTHV-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1-(2-methylquinolin-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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15904 178.0
[M+Na]+ 374.14098 184.9
[M-H]- 350.14448 188.0
[M+NH4]+ 369.18558 193.4
[M+K]+ 390.11492 179.3
[M+H-H2O]+ 334.14902 169.0
[M+HCOO]- 396.14996 198.7
[M+CH3COO]- 410.16561 188.8
[M+Na-2H]- 372.12643 180.4
[M]+ 351.15121 178.6
[M]- 351.15231 178.6
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.