CID 1419762

477330-77-1

Structural Information

Molecular Formula
C24H22BrN5OS
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4
InChI
InChI=1S/C24H22BrN5OS/c1-16(2)17-3-7-20(8-4-17)27-22(31)15-32-24-29-28-23(18-11-13-26-14-12-18)30(24)21-9-5-19(25)6-10-21/h3-14,16H,15H2,1-2H3,(H,27,31)
InChIKey
QPYQARRDASWUTP-UHFFFAOYSA-N
Compound name
2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.07285 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.08013 200.9
[M+Na]+ 530.06207 206.4
[M+NH4]+ 525.10667 203.8
[M+K]+ 546.03601 204.7
[M-H]- 506.06557 205.4
[M+Na-2H]- 528.04752 207.7
[M]+ 507.07230 202.3
[M]- 507.07340 202.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.