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 175.3
[M+Na]+ 326.15154 181.2
[M-H]- 302.15504 184.0
[M+NH4]+ 321.19614 193.2
[M+K]+ 342.12548 176.9
[M+H-H2O]+ 286.15958 167.4
[M+HCOO]- 348.16052 197.9
[M+CH3COO]- 362.17617 211.8
[M+Na-2H]- 324.13699 175.7
[M]+ 303.16177 176.2
[M]- 303.16287 176.2
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.