CID 6364780

Ccg-45649

Structural Information

Molecular Formula
C15H15N3O5
SMILES
COC(=O)/C(=C\C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2)/C#N
InChI
InChI=1S/C15H15N3O5/c1-22-15(19)12(10-16)8-11-9-13(18(20)21)2-3-14(11)17-4-6-23-7-5-17/h2-3,8-9H,4-7H2,1H3/b12-8-
InChIKey
ZIDQZXJPNHWDOR-WQLSENKSSA-N
Compound name
methyl (Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.10117 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.108446 174.7
[M+Na]+ 340.090388 180.1
[M-H]- 316.093894 178.0
[M+NH4]+ 335.134993 183.2
[M+K]+ 356.064328 173.9
[M+H-H2O]+ 300.098430 163.3
[M+HCOO]- 362.099371 188.7
[M+CH3COO]- 376.115021 209.0
[M+Na-2H]- 338.075836 177.1
[M]+ 317.10062142 166.5
[M]- 317.10171858 166.5
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.