CID 20133

4169-35-1

Structural Information

Molecular Formula
C23H32N3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)C(C)C(=O)NC2=C(C=CC=C2C)C
InChI
InChI=1S/C23H31N3O2/c1-15-10-8-11-16(2)21(15)24-20(27)14-26(6,7)19(5)23(28)25-22-17(3)12-9-13-18(22)4/h8-13,19H,14H2,1-7H3,(H-,24,25,27,28)/p+1
InChIKey
CDUXEPFCRIVUQS-UHFFFAOYSA-O
Compound name
[2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.24945 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.25673 194.4
[M+Na]+ 405.23867 198.3
[M-H]- 381.24217 202.4
[M+NH4]+ 400.28327 206.2
[M+K]+ 421.21261 189.9
[M+H-H2O]+ 365.24671 188.5
[M+HCOO]- 427.24765 215.9
[M+CH3COO]- 441.26330 227.7
[M+Na-2H]- 403.22412 196.5
[M]+ 382.24890 195.0
[M]- 382.25000 195.0
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.