CID 54678831

Egfr t790m/l858r-in-8

Structural Information

Molecular Formula
C16H11BrN2O3
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NC3=CC(=CC=C3)Br)O
InChI
InChI=1S/C16H11BrN2O3/c17-9-4-3-5-10(8-9)18-15(21)13-14(20)11-6-1-2-7-12(11)19-16(13)22/h1-8H,(H,18,21)(H2,19,20,22)
InChIKey
UCCUKBQMSKZUOG-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.9953 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.00258 170.8
[M+Na]+ 380.98452 181.7
[M-H]- 356.98802 177.4
[M+NH4]+ 376.02912 185.3
[M+K]+ 396.95846 168.4
[M+H-H2O]+ 340.99256 168.7
[M+HCOO]- 402.99350 188.2
[M+CH3COO]- 417.00915 182.9
[M+Na-2H]- 378.96997 177.2
[M]+ 357.99475 187.7
[M]- 357.99585 187.7
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.