CID 6436873

Cinnapyrine

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₃

SMILES

C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)NC(=O)N

InChI

InChI=1S/C16H14N2O3/c17-16(20)18-13-7-9-14(10-8-13)21-15(19)11-6-12-4-2-1-3-5-12/h1-11H,(H3,17,18,20)/b11-6+

InChIKey

YVPVJILEKSSIKI-IZZDOVSWSA-N

Compound name

[4-(carbamoylamino)phenyl] (E)-3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 214
Patents: 282.10043 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	283.107706	164.7
[M+Na]+	305.089648	169.8
[M-H]-	281.093154	170.6
[M+NH4]+	300.134253	179.0
[M+K]+	321.063588	166.1
[M+H-H2O]+	265.097690	156.2
[M+HCOO]-	327.098631	189.0
[M+CH3COO]-	341.114281	202.1
[M+Na-2H]-	303.075096	168.2
[M]+	282.09988142	163.0
[M]-	282.10097858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe