CID 19978

4061-35-2

Structural Information

Molecular Formula
C22H30N3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCC[N+](C)(C)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C22H29N3O2/c1-17-10-8-11-18(2)22(17)24-20(26)14-9-15-25(3,4)16-21(27)23-19-12-6-5-7-13-19/h5-8,10-13H,9,14-16H2,1-4H3,(H-,23,24,26,27)/p+1
InChIKey
ZFPWHJRHJIUSLZ-UHFFFAOYSA-O
Compound name
(2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.2338 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.24108 191.1
[M+Na]+ 391.22302 203.1
[M+NH4]+ 386.26762 198.4
[M+K]+ 407.19696 196.8
[M-H]- 367.22652 197.6
[M+Na-2H]- 389.20847 199.1
[M]+ 368.23325 194.8
[M]- 368.23435 194.8
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.