CID 75557

2449-05-0

Structural Information

Molecular Formula
C16H14N2O4
SMILES
C1=CC=C(C=C1)COC(=O)N=NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
IRJKSAIGIYODAN-UHFFFAOYSA-N
Compound name
benzyl N-phenylmethoxycarbonyliminocarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1586
Patents

298.09537 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 167.2
[M+Na]+ 321.08459 172.3
[M-H]- 297.08809 176.1
[M+NH4]+ 316.12919 182.3
[M+K]+ 337.05853 171.2
[M+H-H2O]+ 281.09263 157.7
[M+HCOO]- 343.09357 195.4
[M+CH3COO]- 357.10922 207.2
[M+Na-2H]- 319.07004 173.5
[M]+ 298.09482 171.1
[M]- 298.09592 171.1
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

No patent data available for this compound.