CID 145782

3-amino-6-chloro-1-methyl-4-phenylcarbostyril

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)N)C3=CC=CC=C3
InChI
InChI=1S/C16H13ClN2O/c1-19-13-8-7-11(17)9-12(13)14(15(18)16(19)20)10-5-3-2-4-6-10/h2-9H,18H2,1H3
InChIKey
GHUMMQSCMAWOQZ-UHFFFAOYSA-N
Compound name
3-amino-6-chloro-1-methyl-4-phenylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07166 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 163.6
[M+Na]+ 307.06088 175.6
[M-H]- 283.06438 170.3
[M+NH4]+ 302.10548 180.1
[M+K]+ 323.03482 168.3
[M+H-H2O]+ 267.06892 155.9
[M+HCOO]- 329.06986 181.8
[M+CH3COO]- 343.08551 176.2
[M+Na-2H]- 305.04633 168.9
[M]+ 284.07111 165.9
[M]- 284.07221 165.9
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.