CID 6444944

N,2-dimethyl-alpha-inden-1-ylidene-p-propionotoluidide

Structural Information

Molecular Formula
C21H21NO
SMILES
CC(C)C(=O)N(C)C1=CC=C(C=C1)/C=C\2/C=CC3=CC=CC=C32
InChI
InChI=1S/C21H21NO/c1-15(2)21(23)22(3)19-12-8-16(9-13-19)14-18-11-10-17-6-4-5-7-20(17)18/h4-15H,1-3H3/b18-14-
InChIKey
WGPNXLLFKQATCJ-JXAWBTAJSA-N
Compound name
N-[4-[(Z)-inden-1-ylidenemethyl]phenyl]-N,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.16232 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 174.4
[M+Na]+ 326.15154 187.4
[M+NH4]+ 321.19614 183.3
[M+K]+ 342.12548 181.1
[M-H]- 302.15504 179.8
[M+Na-2H]- 324.13699 181.9
[M]+ 303.16177 177.8
[M]- 303.16287 177.8
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.