CID 9588160

71079-67-9

Structural Information

Molecular Formula
C21H19N5S
SMILES
CC1=CC=CC=C1N/C(=N/C2=NC=CS2)/NC3=CC(=NC4=CC=CC=C43)C
InChI
InChI=1S/C21H19N5S/c1-14-7-3-5-9-17(14)24-20(26-21-22-11-12-27-21)25-19-13-15(2)23-18-10-6-4-8-16(18)19/h3-13H,1-2H3,(H2,22,23,24,25,26)
InChIKey
NRNBFRAQIOHWKK-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-3-(2-methylquinolin-4-yl)-2-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.1361 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.143376 185.7
[M+Na]+ 396.125318 194.6
[M-H]- 372.128824 195.9
[M+NH4]+ 391.169923 198.5
[M+K]+ 412.099258 187.2
[M+H-H2O]+ 356.133360 175.7
[M+HCOO]- 418.134301 207.3
[M+CH3COO]- 432.149951 196.4
[M+Na-2H]- 394.110766 191.0
[M]+ 373.13555142 188.7
[M]- 373.13664858 188.7
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.