CID 135300446

Cay10795

Structural Information

Molecular Formula
C24H22N4O2
SMILES
CN1C=CC2=C(C1=O)C=CC(=C2)C3=CN=C4C=CC(=CC4=N3)C(=O)N5CCCCC5
InChI
InChI=1S/C24H22N4O2/c1-27-12-9-16-13-17(5-7-19(16)24(27)30)22-15-25-20-8-6-18(14-21(20)26-22)23(29)28-10-3-2-4-11-28/h5-9,12-15H,2-4,10-11H2,1H3
InChIKey
URHPFANOQLIROT-UHFFFAOYSA-N
Compound name
2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

398.1743 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 200.2
[M+Na]+ 421.16352 208.3
[M-H]- 397.16702 205.6
[M+NH4]+ 416.20812 206.5
[M+K]+ 437.13746 199.9
[M+H-H2O]+ 381.17156 185.9
[M+HCOO]- 443.17250 212.3
[M+CH3COO]- 457.18815 207.5
[M+Na-2H]- 419.14897 204.0
[M]+ 398.17375 198.3
[M]- 398.17485 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe