CID 1787877

(2z)-n-(3,4-dimethylphenyl)-3-(naphthalen-1-yl)prop-2-enamide

Structural Information

Molecular Formula
C21H19NO
SMILES
CC1=C(C=C(C=C1)NC(=O)/C=C\C2=CC=CC3=CC=CC=C32)C
InChI
InChI=1S/C21H19NO/c1-15-10-12-19(14-16(15)2)22-21(23)13-11-18-8-5-7-17-6-3-4-9-20(17)18/h3-14H,1-2H3,(H,22,23)/b13-11-
InChIKey
AGISHRROGWYVBN-QBFSEMIESA-N
Compound name
(Z)-N-(3,4-dimethylphenyl)-3-naphthalen-1-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.14667 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15395 172.4
[M+Na]+ 324.13589 179.6
[M-H]- 300.13939 179.9
[M+NH4]+ 319.18049 188.2
[M+K]+ 340.10983 173.3
[M+H-H2O]+ 284.14393 163.9
[M+HCOO]- 346.14487 194.7
[M+CH3COO]- 360.16052 209.0
[M+Na-2H]- 322.12134 176.9
[M]+ 301.14612 172.2
[M]- 301.14722 172.2
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.