CID 96741

84282-41-7

Structural Information

Molecular Formula
C18H13BrN2O2
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)NNC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C18H13BrN2O2/c19-16-7-3-6-14(11-16)17(22)20-21-18(23)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,20,22)(H,21,23)
InChIKey
SREIGOZTASQVSC-UHFFFAOYSA-N
Compound name
N'-(3-bromobenzoyl)naphthalene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

368.01605 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.02333 176.7
[M+Na]+ 391.00527 185.1
[M-H]- 367.00877 186.0
[M+NH4]+ 386.04987 192.5
[M+K]+ 406.97921 172.8
[M+H-H2O]+ 351.01331 174.0
[M+HCOO]- 413.01425 197.4
[M+CH3COO]- 427.02990 214.5
[M+Na-2H]- 388.99072 183.2
[M]+ 368.01550 193.6
[M]- 368.01660 193.6
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.