CID 6096824

Chembl369808

Structural Information

Molecular Formula
C16H10N4O4
SMILES
C1=CN=CC=C1CN2C(=O)C3=C(C2=O)C(=O)C4=C(C3=O)NC=CN4
InChI
InChI=1S/C16H10N4O4/c21-13-9-10(14(22)12-11(13)18-5-6-19-12)16(24)20(15(9)23)7-8-1-3-17-4-2-8/h1-6,18-19H,7H2
InChIKey
VKLRZJVXIIKIJT-UHFFFAOYSA-N
Compound name
7-(pyridin-4-ylmethyl)-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

322.0702 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07748 172.7
[M+Na]+ 345.05942 186.8
[M-H]- 321.06292 175.7
[M+NH4]+ 340.10402 184.1
[M+K]+ 361.03336 178.7
[M+H-H2O]+ 305.06746 163.3
[M+HCOO]- 367.06840 190.6
[M+CH3COO]- 381.08405 183.8
[M+Na-2H]- 343.04487 178.2
[M]+ 322.06965 175.6
[M]- 322.07075 175.6
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.