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 191.0
[M+Na]+ 391.22302 193.7
[M-H]- 367.22652 198.3
[M+NH4]+ 386.26762 202.7
[M+K]+ 407.19696 184.7
[M+H-H2O]+ 351.23106 184.5
[M+HCOO]- 413.23200 213.8
[M+CH3COO]- 427.24765 221.5
[M+Na-2H]- 389.20847 195.9
[M]+ 368.23325 191.0
[M]- 368.23435 191.0
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.