CID 6278967

180251-17-6

Structural Information

Molecular Formula
C17H17N3O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H17N3O6/c1-24-14-8-12(9-15(25-2)16(14)26-3)17(21)19-18-10-11-4-6-13(7-5-11)20(22)23/h4-10H,1-3H3,(H,19,21)/b18-10+
InChIKey
CHCBMXIQARGYMK-VCHYOVAHSA-N
Compound name
3,4,5-trimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.11172 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.118996 180.3
[M+Na]+ 382.100938 185.6
[M-H]- 358.104444 188.6
[M+NH4]+ 377.145543 191.9
[M+K]+ 398.074878 180.3
[M+H-H2O]+ 342.108980 175.2
[M+HCOO]- 404.109921 208.0
[M+CH3COO]- 418.125571 215.6
[M+Na-2H]- 380.086386 185.8
[M]+ 359.11117142 184.2
[M]- 359.11226858 184.2
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.