CID 51231

Brn 1036259

Structural Information

Molecular Formula
C19H22N6S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NN=CS4
InChI
InChI=1S/C19H22N6S/c1-13-11-17(15-9-5-6-10-16(15)21-13)23-18(24-19-25-20-12-26-19)22-14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3,(H2,21,22,23,24,25)
InChIKey
BHHCWMPIJGDIHW-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(1,3,4-thiadiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.16266 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16994 180.2
[M+Na]+ 389.15188 186.1
[M-H]- 365.15538 187.8
[M+NH4]+ 384.19648 191.4
[M+K]+ 405.12582 179.6
[M+H-H2O]+ 349.15992 169.6
[M+HCOO]- 411.16086 197.2
[M+CH3COO]- 425.17651 189.3
[M+Na-2H]- 387.13733 184.7
[M]+ 366.16211 178.6
[M]- 366.16321 178.6
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.