CID 2851650

N-benzyl-2-methyl-4-nitroaniline

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2
InChI
InChI=1S/C14H14N2O2/c1-11-9-13(16(17)18)7-8-14(11)15-10-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3
InChIKey
WPJTZCLHFWRBBC-UHFFFAOYSA-N
Compound name
N-benzyl-2-methyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

43
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

patents stripe