CID 51236

71079-47-5

Structural Information

Molecular Formula
C18H21N5S
SMILES
CCC(C)N=C(NC1=CC(=NC2=CC=CC=C21)C)NC3=NC=CS3
InChI
InChI=1S/C18H21N5S/c1-4-12(2)21-17(23-18-19-9-10-24-18)22-16-11-13(3)20-15-8-6-5-7-14(15)16/h5-12H,4H2,1-3H3,(H2,19,20,21,22,23)
InChIKey
MBHYXGIPAYUKIJ-UHFFFAOYSA-N
Compound name
2-butan-2-yl-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

339.15176 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15904 178.6
[M+Na]+ 362.14098 186.0
[M-H]- 338.14448 185.4
[M+NH4]+ 357.18558 192.9
[M+K]+ 378.11492 180.5
[M+H-H2O]+ 322.14902 169.3
[M+HCOO]- 384.14996 198.8
[M+CH3COO]- 398.16561 189.2
[M+Na-2H]- 360.12643 182.4
[M]+ 339.15121 182.1
[M]- 339.15231 182.1
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.