CID 3054285

71079-53-3

Structural Information

Molecular Formula
C24H33N5S
SMILES
CCCCCCCCCCN=C(NC1=CC(=NC2=CC=CC=C21)C)NC3=NC=CS3
InChI
InChI=1S/C24H33N5S/c1-3-4-5-6-7-8-9-12-15-25-23(29-24-26-16-17-30-24)28-22-18-19(2)27-21-14-11-10-13-20(21)22/h10-11,13-14,16-18H,3-9,12,15H2,1-2H3,(H2,25,26,27,28,29)
InChIKey
KIIIOZGCERTCML-UHFFFAOYSA-N
Compound name
2-decyl-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

423.24567 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.25295 202.6
[M+Na]+ 446.23489 207.5
[M-H]- 422.23839 208.0
[M+NH4]+ 441.27949 213.5
[M+K]+ 462.20883 200.2
[M+H-H2O]+ 406.24293 191.9
[M+HCOO]- 468.24387 221.8
[M+CH3COO]- 482.25952 235.2
[M+Na-2H]- 444.22034 204.6
[M]+ 423.24512 208.5
[M]- 423.24622 208.5
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.