CID 11792933

3,5-dibenzyloxy-trans-beta-nitrostyrene

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

2
Patents

361.1314 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13868 188.3
[M+Na]+ 384.12062 192.3
[M-H]- 360.12412 197.1
[M+NH4]+ 379.16522 198.8
[M+K]+ 400.09456 183.1
[M+H-H2O]+ 344.12866 182.1
[M+HCOO]- 406.12960 212.3
[M+CH3COO]- 420.14525 208.5
[M+Na-2H]- 382.10607 193.6
[M]+ 361.13085 188.6
[M]- 361.13195 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