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]+ 367.169936 180.2
[M+Na]+ 389.151878 186.1
[M-H]- 365.155384 187.8
[M+NH4]+ 384.196483 191.4
[M+K]+ 405.125818 179.6
[M+H-H2O]+ 349.159920 169.6
[M+HCOO]- 411.160861 197.2
[M+CH3COO]- 425.176511 189.3
[M+Na-2H]- 387.137326 184.7
[M]+ 366.16211142 178.6
[M]- 366.16320858 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.