CID 45051359

853351-19-6

Structural Information

Molecular Formula
C20H15ClN2O4
SMILES
CC1=C(C=CC=C1Cl)NC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H15ClN2O4/c1-13-17(21)6-3-7-18(13)22-20(24)11-9-16-8-10-19(27-16)14-4-2-5-15(12-14)23(25)26/h2-12H,1H3,(H,22,24)/b11-9+
InChIKey
TZYIMHXZRMMKRW-PKNBQFBNSA-N
Compound name
(E)-N-(3-chloro-2-methylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.07202 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07930 188.9
[M+Na]+ 405.06124 204.0
[M+NH4]+ 400.10584 195.9
[M+K]+ 421.03518 200.3
[M-H]- 381.06474 197.1
[M+Na-2H]- 403.04669 196.6
[M]+ 382.07147 193.6
[M]- 382.07257 193.6
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.