CID 51530

Brn 5619536

Structural Information

Molecular Formula
C23H26N4
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=CC=CC=C4
InChI
InChI=1S/C23H26N4/c1-17-16-22(20-14-8-9-15-21(20)24-17)27-23(25-18-10-4-2-5-11-18)26-19-12-6-3-7-13-19/h2,4-5,8-11,14-16,19H,3,6-7,12-13H2,1H3,(H2,24,25,26,27)
InChIKey
LCDXWTNJOFQYLS-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.21576 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22304 184.4
[M+Na]+ 381.20498 186.5
[M-H]- 357.20848 192.9
[M+NH4]+ 376.24958 195.3
[M+K]+ 397.17892 180.3
[M+H-H2O]+ 341.21302 172.6
[M+HCOO]- 403.21396 204.7
[M+CH3COO]- 417.22961 192.5
[M+Na-2H]- 379.19043 190.0
[M]+ 358.21521 177.8
[M]- 358.21631 177.8
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.