CID 10904838

117568-27-1

Structural Information

Molecular Formula
C22H18N2O4
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C(=C2)CC#N)[N+](=O)[O-])OCC3=CC=CC=C3
InChI
InChI=1S/C22H18N2O4/c23-12-11-19-13-21(27-15-17-7-3-1-4-8-17)22(14-20(19)24(25)26)28-16-18-9-5-2-6-10-18/h1-10,13-14H,11,15-16H2
InChIKey
DPVIYAXAQYTSRV-UHFFFAOYSA-N
Compound name
2-[2-nitro-4,5-bis(phenylmethoxy)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

374.12665 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.133926 198.3
[M+Na]+ 397.115868 205.6
[M-H]- 373.119374 204.9
[M+NH4]+ 392.160473 207.0
[M+K]+ 413.089808 194.7
[M+H-H2O]+ 357.123910 185.5
[M+HCOO]- 419.124851 217.8
[M+CH3COO]- 433.140501 221.2
[M+Na-2H]- 395.101316 201.4
[M]+ 374.12610142 193.9
[M]- 374.12719858 193.9
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