CID 6444944

P-propionotoluidide, n,2-dimethyl-alpha-inden-1-ylidene-

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]+ 304.169596 175.3
[M+Na]+ 326.151538 181.2
[M-H]- 302.155044 184.0
[M+NH4]+ 321.196143 193.2
[M+K]+ 342.125478 176.9
[M+H-H2O]+ 286.159580 167.4
[M+HCOO]- 348.160521 197.9
[M+CH3COO]- 362.176171 211.8
[M+Na-2H]- 324.136986 175.7
[M]+ 303.16177142 176.2
[M]- 303.16286858 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.