CID 6509886

Brn 2304377

Structural Information

Molecular Formula
C17H17N3O4
SMILES
CNC(=O)OC1=CC=CC(=C1)/C(=N\OC(=O)NC)/C2=CC=CC=C2
InChI
InChI=1S/C17H17N3O4/c1-18-16(21)23-14-10-6-9-13(11-14)15(20-24-17(22)19-2)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,18,21)(H,19,22)/b20-15-
InChIKey
WYWBXFMCLWEVNJ-HKWRFOASSA-N
Compound name
[3-[(Z)-N-(methylcarbamoyloxy)-C-phenylcarbonimidoyl]phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.12192 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12920 175.5
[M+Na]+ 350.11114 179.3
[M-H]- 326.11464 183.2
[M+NH4]+ 345.15574 188.5
[M+K]+ 366.08508 178.1
[M+H-H2O]+ 310.11918 165.9
[M+HCOO]- 372.12012 201.8
[M+CH3COO]- 386.13577 215.1
[M+Na-2H]- 348.09659 179.4
[M]+ 327.12137 176.9
[M]- 327.12247 176.9
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

No patent data available for this compound.