CID 505177

3-[(3-chloro-4-methoxy-phenyl)methyl-[3-(5-methyl-1h-1,2,4-triazol-3-yl)-3-oxo-propanoyl]amino]-n,n-dimethyl-benzamide

Structural Information

Molecular Formula
C23H24ClN5O4
SMILES
CC1=NC(=NN1)C(=O)CC(=O)N(CC2=CC(=C(C=C2)OC)Cl)C3=CC=CC(=C3)C(=O)N(C)C
InChI
InChI=1S/C23H24ClN5O4/c1-14-25-22(27-26-14)19(30)12-21(31)29(13-15-8-9-20(33-4)18(24)10-15)17-7-5-6-16(11-17)23(32)28(2)3/h5-11H,12-13H2,1-4H3,(H,25,26,27)
InChIKey
BXBZGSIGAZZRSK-UHFFFAOYSA-N
Compound name
3-[(3-chloro-4-methoxyphenyl)methyl-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-3-oxopropanoyl]amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.15167 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.15895 209.0
[M+Na]+ 492.14089 214.3
[M-H]- 468.14439 216.9
[M+NH4]+ 487.18549 215.1
[M+K]+ 508.11483 210.8
[M+H-H2O]+ 452.14893 198.0
[M+HCOO]- 514.14987 223.9
[M+CH3COO]- 528.16552 242.1
[M+Na-2H]- 490.12634 205.9
[M]+ 469.15112 215.8
[M]- 469.15222 215.8
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.