CID 504993

N-(2-naphthylmethyl)-3-oxo-n-phenyl-3-(1h-1,2,4-triazol-3-yl)propanamide

Structural Information

Molecular Formula
C22H18N4O2
SMILES
C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=NN4
InChI
InChI=1S/C22H18N4O2/c27-20(22-23-15-24-25-22)13-21(28)26(19-8-2-1-3-9-19)14-16-10-11-17-6-4-5-7-18(17)12-16/h1-12,15H,13-14H2,(H,23,24,25)
InChIKey
FGRBSUBIFFJBGB-UHFFFAOYSA-N
Compound name
N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-(1H-1,2,4-triazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14297 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15025 186.2
[M+Na]+ 393.13219 192.0
[M-H]- 369.13569 192.9
[M+NH4]+ 388.17679 195.3
[M+K]+ 409.10613 186.0
[M+H-H2O]+ 353.14023 174.5
[M+HCOO]- 415.14117 205.7
[M+CH3COO]- 429.15682 195.1
[M+Na-2H]- 391.11764 190.5
[M]+ 370.14242 186.9
[M]- 370.14352 186.9
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.