CID 478640

2-methylindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C16H10N2O2
SMILES
CC1=CC2=C(C=C1)N=C3C(=O)C4=CC=CC=C4N3C2=O
InChI
InChI=1S/C16H10N2O2/c1-9-6-7-12-11(8-9)16(20)18-13-5-3-2-4-10(13)14(19)15(18)17-12/h2-8H,1H3
InChIKey
WCVZUFADLNRHLS-UHFFFAOYSA-N
Compound name
2-methylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

262.07422 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08150 157.5
[M+Na]+ 285.06344 170.8
[M-H]- 261.06694 162.6
[M+NH4]+ 280.10804 176.9
[M+K]+ 301.03738 164.6
[M+H-H2O]+ 245.07148 149.5
[M+HCOO]- 307.07242 177.7
[M+CH3COO]- 321.08807 170.8
[M+Na-2H]- 283.04889 164.3
[M]+ 262.07367 161.1
[M]- 262.07477 161.1
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