CID 3021031

N-(2-ethoxy-4-nitrophenyl)dibenzylamine

Structural Information

Molecular Formula
C22H22N2O3
SMILES
CCOC1=C(C=CC(=C1)[N+](=O)[O-])N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H22N2O3/c1-2-27-22-15-20(24(25)26)13-14-21(22)23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3
InChIKey
KUUVJVCDGHFMMI-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-ethoxy-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.16306 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17034 188.3
[M+Na]+ 385.15228 191.3
[M-H]- 361.15578 198.2
[M+NH4]+ 380.19688 199.0
[M+K]+ 401.12622 183.4
[M+H-H2O]+ 345.16032 181.7
[M+HCOO]- 407.16126 213.4
[M+CH3COO]- 421.17691 216.0
[M+Na-2H]- 383.13773 193.4
[M]+ 362.16251 188.5
[M]- 362.16361 188.5
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

patents stripe