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
1
Annotation Hits

0
References

8
Patents

374.12665 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13393 198.3
[M+Na]+ 397.11587 205.6
[M-H]- 373.11937 204.9
[M+NH4]+ 392.16047 207.0
[M+K]+ 413.08981 194.7
[M+H-H2O]+ 357.12391 185.5
[M+HCOO]- 419.12485 217.8
[M+CH3COO]- 433.14050 221.2
[M+Na-2H]- 395.10132 201.4
[M]+ 374.12610 193.9
[M]- 374.12720 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