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

literature stripe

Patent stripe

patents stripe