CID 414097

7399-04-4

Structural Information

Molecular Formula
C21H19N3O3
SMILES
COC1=CC(=C2C(=C1)C=CC=N2)NCCCN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H19N3O3/c1-27-15-12-14-6-4-9-23-19(14)18(13-15)22-10-5-11-24-20(25)16-7-2-3-8-17(16)21(24)26/h2-4,6-9,12-13,22H,5,10-11H2,1H3
InChIKey
HMZXJEHXIUYKCU-UHFFFAOYSA-N
Compound name
2-[3-[(6-methoxyquinolin-8-yl)amino]propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.14264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14992 185.4
[M+Na]+ 384.13186 194.1
[M-H]- 360.13536 191.5
[M+NH4]+ 379.17646 198.8
[M+K]+ 400.10580 188.0
[M+H-H2O]+ 344.13990 175.4
[M+HCOO]- 406.14084 205.3
[M+CH3COO]- 420.15649 195.7
[M+Na-2H]- 382.11731 189.0
[M]+ 361.14209 188.7
[M]- 361.14319 188.7
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.