CID 137931124

N-[3-(1-benzyl-1h-1,2,3-triazol-4-yl)phenyl]prop-2-enamide

Structural Information

Molecular Formula
C18H16N4O
SMILES
C=CC(=O)NC1=CC=CC(=C1)C2=CN(N=N2)CC3=CC=CC=C3
InChI
InChI=1S/C18H16N4O/c1-2-18(23)19-16-10-6-9-15(11-16)17-13-22(21-20-17)12-14-7-4-3-5-8-14/h2-11,13H,1,12H2,(H,19,23)
InChIKey
FGMRWUBXSLBKTH-UHFFFAOYSA-N
Compound name
N-[3-(1-benzyltriazol-4-yl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 171.6
[M+Na]+ 327.12164 178.9
[M-H]- 303.12514 177.6
[M+NH4]+ 322.16624 183.3
[M+K]+ 343.09558 172.7
[M+H-H2O]+ 287.12968 160.6
[M+HCOO]- 349.13062 193.4
[M+CH3COO]- 363.14627 182.1
[M+Na-2H]- 325.10709 175.3
[M]+ 304.13187 171.1
[M]- 304.13297 171.1
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.