CID 6893059

298215-12-0

Structural Information

Molecular Formula
C17H17BrN2O4
SMILES
COC1=C(C=C(C=C1)Br)/C=N/NC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C17H17BrN2O4/c1-22-14-7-5-13(18)8-12(14)10-19-20-17(21)11-4-6-15(23-2)16(9-11)24-3/h4-10H,1-3H3,(H,20,21)/b19-10+
InChIKey
HFOONKHQMSUELL-VXLYETTFSA-N
Compound name
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

392.03717 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04445 179.7
[M+Na]+ 415.02639 189.4
[M-H]- 391.02989 189.9
[M+NH4]+ 410.07099 194.9
[M+K]+ 431.00033 178.7
[M+H-H2O]+ 375.03443 175.9
[M+HCOO]- 437.03537 203.5
[M+CH3COO]- 451.05102 222.1
[M+Na-2H]- 413.01184 184.1
[M]+ 392.03662 203.1
[M]- 392.03772 203.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.