CID 332189

Orb2945275

Structural Information

Molecular Formula
C18H14BrN3O2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)Br)C(=O)NN=CC3=CC=CC=C3O
InChI
InChI=1S/C18H14BrN3O2/c1-11-8-15(14-9-13(19)6-7-16(14)21-11)18(24)22-20-10-12-4-2-3-5-17(12)23/h2-10,23H,1H3,(H,22,24)
InChIKey
MTVVJOBPGQXHML-UHFFFAOYSA-N
Compound name
6-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

383.02695 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.03423 179.4
[M+Na]+ 406.01617 189.6
[M-H]- 382.01967 188.0
[M+NH4]+ 401.06077 193.9
[M+K]+ 421.99011 176.6
[M+H-H2O]+ 366.02421 175.9
[M+HCOO]- 428.02515 199.7
[M+CH3COO]- 442.04080 219.0
[M+Na-2H]- 404.00162 186.0
[M]+ 383.02640 198.2
[M]- 383.02750 198.2
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