CID 45051369

853351-39-0

Structural Information

Molecular Formula
C19H20N2O4
SMILES
C1CCC(CC1)NC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H20N2O4/c22-19(20-15-6-2-1-3-7-15)12-10-17-9-11-18(25-17)14-5-4-8-16(13-14)21(23)24/h4-5,8-13,15H,1-3,6-7H2,(H,20,22)/b12-10+
InChIKey
JVZPCLUBHPPPDA-ZRDIBKRKSA-N
Compound name
(E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 181.1
[M+Na]+ 363.13152 182.8
[M-H]- 339.13502 190.3
[M+NH4]+ 358.17612 192.6
[M+K]+ 379.10546 175.6
[M+H-H2O]+ 323.13956 176.8
[M+HCOO]- 385.14050 202.3
[M+CH3COO]- 399.15615 204.5
[M+Na-2H]- 361.11697 183.6
[M]+ 340.14175 175.8
[M]- 340.14285 175.8
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.