CID 5921207

Nsc627568

Structural Information

Molecular Formula
C18H17NO7
SMILES
COC1=CC=C(C=C1)/C(=C/C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/C(=O)O
InChI
InChI=1S/C18H17NO7/c1-24-13-6-4-11(5-7-13)14(18(20)21)8-12-9-16(25-2)17(26-3)10-15(12)19(22)23/h4-10H,1-3H3,(H,20,21)/b14-8-
InChIKey
KIWCEGVRWYVDQU-ZSOIEALJSA-N
Compound name
(Z)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1005 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10778 180.3
[M+Na]+ 382.08972 185.7
[M-H]- 358.09322 185.9
[M+NH4]+ 377.13432 191.0
[M+K]+ 398.06366 179.7
[M+H-H2O]+ 342.09776 176.4
[M+HCOO]- 404.09870 201.9
[M+CH3COO]- 418.11435 207.1
[M+Na-2H]- 380.07517 182.4
[M]+ 359.09995 183.3
[M]- 359.10105 183.3
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.