CID 322103

66948-20-7

Structural Information

Molecular Formula
C19H16N2O2
SMILES
CN1C2=CC=CC=C2C(C1=O)(CC3=NC=CC4=CC=CC=C43)O
InChI
InChI=1S/C19H16N2O2/c1-21-17-9-5-4-8-15(17)19(23,18(21)22)12-16-14-7-3-2-6-13(14)10-11-20-16/h2-11,23H,12H2,1H3
InChIKey
XXBVFWZJBFBOLV-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(isoquinolin-1-ylmethyl)-1-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12848 172.1
[M+Na]+ 327.11042 182.6
[M-H]- 303.11392 177.4
[M+NH4]+ 322.15502 189.6
[M+K]+ 343.08436 175.9
[M+H-H2O]+ 287.11846 163.0
[M+HCOO]- 349.11940 190.0
[M+CH3COO]- 363.13505 183.4
[M+Na-2H]- 325.09587 177.1
[M]+ 304.12065 172.9
[M]- 304.12175 172.9
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.