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]+ 324.127726 167.4
[M+Na]+ 346.109668 177.4
[M-H]- 322.113174 177.5
[M+NH4]+ 341.154273 177.7
[M+K]+ 362.083608 170.5
[M+H-H2O]+ 306.117710 159.0
[M+HCOO]- 368.118651 189.9
[M+CH3COO]- 382.134301 178.7
[M+Na-2H]- 344.095116 173.3
[M]+ 323.11990142 172.0
[M]- 323.12099858 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.