CID 135504248

Ccg-8799

Structural Information

Molecular Formula
C17H17N3O6
SMILES
CC1=CC(=CC=C1)OCC(=O)N/N=C/C2=C(C(=C(C=C2)O)OC)[N+](=O)[O-]
InChI
InChI=1S/C17H17N3O6/c1-11-4-3-5-13(8-11)26-10-15(22)19-18-9-12-6-7-14(21)17(25-2)16(12)20(23)24/h3-9,21H,10H2,1-2H3,(H,19,22)/b18-9+
InChIKey
NCHUJTVPIUZWLD-GIJQJNRQSA-N
Compound name
N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.11172 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11900 179.8
[M+Na]+ 382.10094 184.6
[M-H]- 358.10444 186.7
[M+NH4]+ 377.14554 190.6
[M+K]+ 398.07488 178.5
[M+H-H2O]+ 342.10898 174.9
[M+HCOO]- 404.10992 206.0
[M+CH3COO]- 418.12557 213.1
[M+Na-2H]- 380.08639 184.9
[M]+ 359.11117 181.9
[M]- 359.11227 181.9
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.