CID 45051366

853351-33-4

Structural Information

Molecular Formula
C20H15ClN2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C20H15ClN2O4/c1-13-5-6-15(12-18(13)21)22-20(24)10-8-17-7-9-19(27-17)14-3-2-4-16(11-14)23(25)26/h2-12H,1H3,(H,22,24)/b10-8+
InChIKey
HSIDGQGNPXANBS-CSKARUKUSA-N
Compound name
(E)-N-(3-chloro-4-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 193.4
[M+Na]+ 405.06124 199.8
[M-H]- 381.06474 203.9
[M+NH4]+ 400.10584 204.8
[M+K]+ 421.03518 190.6
[M+H-H2O]+ 365.06928 189.8
[M+HCOO]- 427.07022 213.7
[M+CH3COO]- 441.08587 212.4
[M+Na-2H]- 403.04669 195.8
[M]+ 382.07147 195.8
[M]- 382.07257 195.8
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.