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]+ 341.149576 181.1
[M+Na]+ 363.131518 182.8
[M-H]- 339.135024 190.3
[M+NH4]+ 358.176123 192.6
[M+K]+ 379.105458 175.6
[M+H-H2O]+ 323.139560 176.8
[M+HCOO]- 385.140501 202.3
[M+CH3COO]- 399.156151 204.5
[M+Na-2H]- 361.116966 183.6
[M]+ 340.14175142 175.8
[M]- 340.14284858 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.