CID 1250746

328263-30-5

Structural Information

Molecular Formula
C22H20N2O4
SMILES
COC1=C(C=CC(=C1)C=NCC2=CC=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H20N2O4/c1-27-22-13-19(15-23-14-17-5-3-2-4-6-17)9-12-21(22)28-16-18-7-10-20(11-8-18)24(25)26/h2-13,15H,14,16H2,1H3
InChIKey
HWXWEMRACGTEPX-UHFFFAOYSA-N
Compound name
N-benzyl-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1423 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14958 191.3
[M+Na]+ 399.13152 195.7
[M-H]- 375.13502 201.6
[M+NH4]+ 394.17612 201.7
[M+K]+ 415.10546 187.4
[M+H-H2O]+ 359.13956 184.5
[M+HCOO]- 421.14050 217.7
[M+CH3COO]- 435.15615 217.0
[M+Na-2H]- 397.11697 197.0
[M]+ 376.14175 193.0
[M]- 376.14285 193.0
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.