CID 1105960

N-[4-(benzyloxy)phenyl]-3-methyl-4-nitrobenzamide

Structural Information

Molecular Formula
C21H18N2O4
SMILES
CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H18N2O4/c1-15-13-17(7-12-20(15)23(25)26)21(24)22-18-8-10-19(11-9-18)27-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,24)
InChIKey
LVGCRRVASBYLBO-UHFFFAOYSA-N
Compound name
3-methyl-4-nitro-N-(4-phenylmethoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12665 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13393 185.3
[M+Na]+ 385.11587 189.4
[M-H]- 361.11937 194.7
[M+NH4]+ 380.16047 195.6
[M+K]+ 401.08981 181.1
[M+H-H2O]+ 345.12391 179.4
[M+HCOO]- 407.12485 209.8
[M+CH3COO]- 421.14050 212.2
[M+Na-2H]- 383.10132 190.3
[M]+ 362.12610 184.5
[M]- 362.12720 184.5
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

No patent data available for this compound.