CID 3054300

Brn 5633980

Structural Information

Molecular Formula
C23H29N5S
SMILES
CC(C)CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NC=CS4
InChI
InChI=1S/C23H29N5S/c1-16(2)14-18-15-21(19-10-6-7-11-20(19)25-18)27-22(28-23-24-12-13-29-23)26-17-8-4-3-5-9-17/h6-7,10-13,15-17H,3-5,8-9,14H2,1-2H3,(H2,24,25,26,27,28)
InChIKey
XTKMPEATVOCSKS-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-[2-(2-methylpropyl)quinolin-4-yl]-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.21436 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22164 194.1
[M+Na]+ 430.20358 197.6
[M-H]- 406.20708 202.2
[M+NH4]+ 425.24818 204.8
[M+K]+ 446.17752 191.2
[M+H-H2O]+ 390.21162 183.6
[M+HCOO]- 452.21256 209.9
[M+CH3COO]- 466.22821 202.0
[M+Na-2H]- 428.18903 195.6
[M]+ 407.21381 192.7
[M]- 407.21491 192.7
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.