CID 1352458

853351-12-9

Structural Information

Molecular Formula
C19H13ClN2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C/C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H13ClN2O4/c20-14-4-2-5-15(12-14)21-19(23)10-8-17-7-9-18(26-17)13-3-1-6-16(11-13)22(24)25/h1-12H,(H,21,23)/b10-8+
InChIKey
CMQZWAPVUYQGTQ-CSKARUKUSA-N
Compound name
(E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0564 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.06368 184.2
[M+Na]+ 391.04562 199.1
[M+NH4]+ 386.09022 191.4
[M+K]+ 407.01956 195.6
[M-H]- 367.04912 192.4
[M+Na-2H]- 389.03107 192.5
[M]+ 368.05585 188.8
[M]- 368.05695 188.8
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.