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 167.4
[M+Na]+ 346.10967 177.4
[M-H]- 322.11317 177.5
[M+NH4]+ 341.15427 177.7
[M+K]+ 362.08361 170.5
[M+H-H2O]+ 306.11771 159.0
[M+HCOO]- 368.11865 189.9
[M+CH3COO]- 382.13430 178.7
[M+Na-2H]- 344.09512 173.3
[M]+ 323.11990 172.0
[M]- 323.12100 172.0
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.