CID 772129

N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide

Structural Information

Molecular Formula
C18H14BrNO
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC=CC3=CC=CC=C32)Br
InChI
InChI=1S/C18H14BrNO/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21)
InChIKey
UCJHHXZDHFDWPC-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

339.02588 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.03316 171.9
[M+Na]+ 362.01510 182.3
[M-H]- 338.01860 181.8
[M+NH4]+ 357.05970 189.8
[M+K]+ 377.98904 169.6
[M+H-H2O]+ 322.02314 170.1
[M+HCOO]- 384.02408 192.3
[M+CH3COO]- 398.03973 185.1
[M+Na-2H]- 360.00055 178.4
[M]+ 339.02533 190.0
[M]- 339.02643 190.0
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

patents stripe