CID 51239

71079-56-6

Structural Information

Molecular Formula
C17H17N5S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CC3)NC4=NC=CS4
InChI
InChI=1S/C17H17N5S/c1-11-10-15(13-4-2-3-5-14(13)19-11)21-16(20-12-6-7-12)22-17-18-8-9-23-17/h2-5,8-10,12H,6-7H2,1H3,(H2,18,19,20,21,22)
InChIKey
OCQHHQWKJDTXOT-UHFFFAOYSA-N
Compound name
2-cyclopropyl-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

323.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12773 172.9
[M+Na]+ 346.10967 187.1
[M+NH4]+ 341.15427 182.2
[M+K]+ 362.08361 180.2
[M-H]- 322.11317 186.6
[M+Na-2H]- 344.09512 184.9
[M]+ 323.11990 180.3
[M]- 323.12100 180.3
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.