CID 3054309

71079-97-5

Structural Information

Molecular Formula
C23H23N5S
SMILES
CC(C)(C)N=C(NC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3)NC4=NC=CS4
InChI
InChI=1S/C23H23N5S/c1-23(2,3)28-21(27-22-24-13-14-29-22)26-20-15-19(16-9-5-4-6-10-16)25-18-12-8-7-11-17(18)20/h4-15H,1-3H3,(H2,24,25,26,27,28)
InChIKey
PECUFLIOROEGDO-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-phenylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.16742 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17470 195.3
[M+Na]+ 424.15664 202.7
[M-H]- 400.16014 205.0
[M+NH4]+ 419.20124 206.7
[M+K]+ 440.13058 195.6
[M+H-H2O]+ 384.16468 185.2
[M+HCOO]- 446.16562 214.7
[M+CH3COO]- 460.18127 204.9
[M+Na-2H]- 422.14209 201.2
[M]+ 401.16687 197.9
[M]- 401.16797 197.9
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.