CID 3916227

2-(4-methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile

Structural Information

Molecular Formula
C17H14N2O4
SMILES
COC1=CC=C(C=C1)COC(=O)ON=C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C17H14N2O4/c1-21-15-9-7-13(8-10-15)12-22-17(20)23-19-16(11-18)14-5-3-2-4-6-14/h2-10H,12H2,1H3
InChIKey
IPRBOQUKBZNCAG-UHFFFAOYSA-N
Compound name
[[cyano(phenyl)methylidene]amino] (4-methoxyphenyl)methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

310.09537 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10265 175.0
[M+Na]+ 333.08459 182.9
[M-H]- 309.08809 180.9
[M+NH4]+ 328.12919 187.6
[M+K]+ 349.05853 179.3
[M+H-H2O]+ 293.09263 159.6
[M+HCOO]- 355.09357 195.9
[M+CH3COO]- 369.10922 216.7
[M+Na-2H]- 331.07004 178.1
[M]+ 310.09482 173.3
[M]- 310.09592 173.3
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