CID 3054292

71079-62-4

Structural Information

Molecular Formula
C21H25N5S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCCC3)NC4=NC=CS4
InChI
InChI=1S/C21H25N5S/c1-15-14-19(17-10-6-7-11-18(17)23-15)25-20(26-21-22-12-13-27-21)24-16-8-4-2-3-5-9-16/h6-7,10-14,16H,2-5,8-9H2,1H3,(H2,22,23,24,25,26)
InChIKey
DQBUUVLONKHCNV-UHFFFAOYSA-N
Compound name
2-cycloheptyl-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

379.18307 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19035 192.4
[M+Na]+ 402.17229 201.9
[M+NH4]+ 397.21689 199.8
[M+K]+ 418.14623 194.6
[M-H]- 378.17579 199.1
[M+Na-2H]- 400.15774 200.4
[M]+ 379.18252 196.0
[M]- 379.18362 196.0
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.