CID 3022807

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

Structural Information

Molecular Formula
C22H22N2O2
SMILES
CCC1=C(C=CC(=C1)[N+](=O)[O-])N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H22N2O2/c1-2-20-15-21(24(25)26)13-14-22(20)23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3
InChIKey
KJXWPRQPTLIFSD-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-ethyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.16812 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.175396 184.9
[M+Na]+ 369.157338 188.2
[M-H]- 345.160844 194.9
[M+NH4]+ 364.201943 196.5
[M+K]+ 385.131278 179.7
[M+H-H2O]+ 329.165380 178.7
[M+HCOO]- 391.166321 209.9
[M+CH3COO]- 405.181971 214.0
[M+Na-2H]- 367.142786 189.9
[M]+ 346.16757142 183.9
[M]- 346.16866858 183.9
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.