CID 420098

Nsc121111

Structural Information

Molecular Formula
C22H21N3O3
SMILES
COC1=CC(=C2C(=C1)C=CC=N2)NCCCCN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H21N3O3/c1-28-16-13-15-7-6-11-24-20(15)19(14-16)23-10-4-5-12-25-21(26)17-8-2-3-9-18(17)22(25)27/h2-3,6-9,11,13-14,23H,4-5,10,12H2,1H3
InChIKey
DSCATQVKNJIWHD-UHFFFAOYSA-N
Compound name
2-[4-[(6-methoxyquinolin-8-yl)amino]butyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1583 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16558 189.9
[M+Na]+ 398.14752 198.1
[M-H]- 374.15102 195.8
[M+NH4]+ 393.19212 202.7
[M+K]+ 414.12146 191.8
[M+H-H2O]+ 358.15556 179.7
[M+HCOO]- 420.15650 209.4
[M+CH3COO]- 434.17215 199.7
[M+Na-2H]- 396.13297 193.0
[M]+ 375.15775 193.5
[M]- 375.15885 193.5
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

No patent data available for this compound.