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]+ 360.11900 180.3
[M+Na]+ 382.10094 185.6
[M-H]- 358.10444 188.6
[M+NH4]+ 377.14554 191.9
[M+K]+ 398.07488 180.3
[M+H-H2O]+ 342.10898 175.2
[M+HCOO]- 404.10992 208.0
[M+CH3COO]- 418.12557 215.6
[M+Na-2H]- 380.08639 185.8
[M]+ 359.11117 184.2
[M]- 359.11227 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.