CID 292570

N-(3-nitrophenyl)-4-methylbenzylamine

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1=CC=C(C=C1)CNC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H14N2O2/c1-11-5-7-12(8-6-11)10-15-13-3-2-4-14(9-13)16(17)18/h2-9,15H,10H2,1H3
InChIKey
ANVKUDDLGAYXIW-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]-3-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.10553 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 152.9
[M+Na]+ 265.09475 158.9
[M-H]- 241.09825 159.7
[M+NH4]+ 260.13935 169.1
[M+K]+ 281.06869 151.3
[M+H-H2O]+ 225.10279 149.7
[M+HCOO]- 287.10373 179.4
[M+CH3COO]- 301.11938 190.5
[M+Na-2H]- 263.08020 160.8
[M]+ 242.10498 151.0
[M]- 242.10608 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.