CID 504996

3-(5-ethyl-1h-[1,2,4]triazol-3-yl)-n-naphthalen-2-ylmethyl-3-oxo-n-phenyl-propionamide

Structural Information

Molecular Formula
C24H22N4O2
SMILES
CCC1=NC(=NN1)C(=O)CC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4
InChI
InChI=1S/C24H22N4O2/c1-2-22-25-24(27-26-22)21(29)15-23(30)28(20-10-4-3-5-11-20)16-17-12-13-18-8-6-7-9-19(18)14-17/h3-14H,2,15-16H2,1H3,(H,25,26,27)
InChIKey
QVACLAVEFURYOM-UHFFFAOYSA-N
Compound name
3-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1743 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 195.9
[M+Na]+ 421.16352 201.6
[M-H]- 397.16702 202.6
[M+NH4]+ 416.20812 204.1
[M+K]+ 437.13746 195.3
[M+H-H2O]+ 381.17156 184.0
[M+HCOO]- 443.17250 214.6
[M+CH3COO]- 457.18815 204.2
[M+Na-2H]- 419.14897 198.3
[M]+ 398.17375 197.6
[M]- 398.17485 197.6
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.