CID 5368638

3,4-dibenzyloxy-trans-beta-nitrostyrene

Structural Information

Molecular Formula
C22H19NO4
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C/[N+](=O)[O-])OCC3=CC=CC=C3
InChI
InChI=1S/C22H19NO4/c24-23(25)14-13-18-11-12-21(26-16-19-7-3-1-4-8-19)22(15-18)27-17-20-9-5-2-6-10-20/h1-15H,16-17H2/b14-13+
InChIKey
CHTJRVASYXOBSO-BUHFOSPRSA-N
Compound name
4-[(E)-2-nitroethenyl]-1,2-bis(phenylmethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

361.1314 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13868 186.6
[M+Na]+ 384.12062 203.0
[M+NH4]+ 379.16522 194.3
[M+K]+ 400.09456 195.6
[M-H]- 360.12412 194.5
[M+Na-2H]- 382.10607 197.4
[M]+ 361.13085 191.2
[M]- 361.13195 191.2
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

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