CID 6868765

324033-60-5

Structural Information

Molecular Formula
C18H18BrN3O4
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)Br)OC
InChI
InChI=1S/C18H18BrN3O4/c1-25-15-7-6-13(9-16(15)26-2)18(24)20-11-17(23)22-21-10-12-4-3-5-14(19)8-12/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)/b21-10+
InChIKey
COVJIETYAZWWNY-UFFVCSGVSA-N
Compound name
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.04807 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.05535 186.4
[M+Na]+ 442.03729 193.8
[M-H]- 418.04079 196.0
[M+NH4]+ 437.08189 199.7
[M+K]+ 458.01123 182.7
[M+H-H2O]+ 402.04533 181.6
[M+HCOO]- 464.04627 210.0
[M+CH3COO]- 478.06192 228.2
[M+Na-2H]- 440.02274 190.2
[M]+ 419.04752 207.6
[M]- 419.04862 207.6
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.