CID 11792933

1-[(1e)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene

Structural Information

Molecular Formula
C22H19NO4
SMILES
C1=CC=C(C=C1)COC2=CC(=CC(=C2)/C=C/[N+](=O)[O-])OCC3=CC=CC=C3
InChI
InChI=1S/C22H19NO4/c24-23(25)12-11-20-13-21(26-16-18-7-3-1-4-8-18)15-22(14-20)27-17-19-9-5-2-6-10-19/h1-15H,16-17H2/b12-11+
InChIKey
VLKZULIHYKJZTG-VAWYXSNFSA-N
Compound name
1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

361.1314 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.138676 188.3
[M+Na]+ 384.120618 192.3
[M-H]- 360.124124 197.1
[M+NH4]+ 379.165223 198.8
[M+K]+ 400.094558 183.1
[M+H-H2O]+ 344.128660 182.1
[M+HCOO]- 406.129601 212.3
[M+CH3COO]- 420.145251 208.5
[M+Na-2H]- 382.106066 193.6
[M]+ 361.13085142 188.6
[M]- 361.13194858 188.6
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

patents stripe