CID 459670

4-(anilinomethyl)carbostyril

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1=CC=C(C=C1)NCC2=CC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C16H14N2O/c19-16-10-12(11-17-13-6-2-1-3-7-13)14-8-4-5-9-15(14)18-16/h1-10,17H,11H2,(H,18,19)
InChIKey
NPNRWHULIRHMSN-UHFFFAOYSA-N
Compound name
4-(anilinomethyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

250.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 154.6
[M+Na]+ 273.09983 162.6
[M-H]- 249.10333 159.6
[M+NH4]+ 268.14443 170.2
[M+K]+ 289.07377 156.2
[M+H-H2O]+ 233.10787 146.0
[M+HCOO]- 295.10881 176.6
[M+CH3COO]- 309.12446 166.3
[M+Na-2H]- 271.08528 163.5
[M]+ 250.11006 152.5
[M]- 250.11116 152.5
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