CID 3054287

Guanidine, n-(2-methyl-4-quinolinyl)-n'-octadecyl-n''-2-thiazolyl-, dihydrochloride

Structural Information

Molecular Formula
C32H49N5S
SMILES
CCCCCCCCCCCCCCCCCCN=C(NC1=CC(=NC2=CC=CC=C21)C)NC3=NC=CS3
InChI
InChI=1S/C32H49N5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-31(37-32-34-24-25-38-32)36-30-26-27(2)35-29-22-19-18-21-28(29)30/h18-19,21-22,24-26H,3-17,20,23H2,1-2H3,(H2,33,34,35,36,37)
InChIKey
NTPCUOYQTPUXOR-UHFFFAOYSA-N
Compound name
1-(2-methylquinolin-4-yl)-2-octadecyl-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.37085 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.37813 234.7
[M+Na]+ 558.36007 235.8
[M-H]- 534.36357 238.4
[M+NH4]+ 553.40467 240.8
[M+K]+ 574.33401 226.9
[M+H-H2O]+ 518.36811 222.4
[M+HCOO]- 580.36905 251.2
[M+CH3COO]- 594.38470 258.1
[M+Na-2H]- 556.34552 233.1
[M]+ 535.37030 243.1
[M]- 535.37140 243.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.