CID 5333327

331264-78-9

Structural Information

Molecular Formula
C19H14BrN3O2
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=CC(=CC=C3)Br
InChI
InChI=1S/C19H14BrN3O2/c20-15-8-3-5-13(11-15)12-21-23-19(25)18(24)22-17-10-4-7-14-6-1-2-9-16(14)17/h1-12H,(H,22,24)(H,23,25)/b21-12+
InChIKey
DKFCMFXZMVTUSL-CIAFOILYSA-N
Compound name
N'-[(E)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.02695 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.03423 182.3
[M+Na]+ 418.01617 189.9
[M-H]- 394.01967 192.5
[M+NH4]+ 413.06077 197.2
[M+K]+ 433.99011 177.6
[M+H-H2O]+ 378.02421 178.3
[M+HCOO]- 440.02515 205.0
[M+CH3COO]- 454.04080 223.0
[M+Na-2H]- 416.00162 189.2
[M]+ 395.02640 199.6
[M]- 395.02750 199.6
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.