CID 478571

2,3-dimethoxyindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C17H12N2O4
SMILES
COC1=C(C=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2)OC
InChI
InChI=1S/C17H12N2O4/c1-22-13-7-10-11(8-14(13)23-2)18-16-15(20)9-5-3-4-6-12(9)19(16)17(10)21/h3-8H,1-2H3
InChIKey
YMVQQFBVUYEMHC-UHFFFAOYSA-N
Compound name
2,3-dimethoxyindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

308.0797 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08698 168.3
[M+Na]+ 331.06892 181.4
[M-H]- 307.07242 173.5
[M+NH4]+ 326.11352 185.9
[M+K]+ 347.04286 176.6
[M+H-H2O]+ 291.07696 160.1
[M+HCOO]- 353.07790 188.4
[M+CH3COO]- 367.09355 181.1
[M+Na-2H]- 329.05437 174.2
[M]+ 308.07915 175.5
[M]- 308.08025 175.5
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