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 188.5
[M+Na]+ 391.04562 194.4
[M-H]- 367.04912 198.8
[M+NH4]+ 386.09022 200.1
[M+K]+ 407.01956 185.3
[M+H-H2O]+ 351.05366 184.8
[M+HCOO]- 413.05460 209.1
[M+CH3COO]- 427.07025 208.2
[M+Na-2H]- 389.03107 192.0
[M]+ 368.05585 190.1
[M]- 368.05695 190.1
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.