CID 71750

Daniquidone

Structural Information

Molecular Formula
C15H11N3O
SMILES
C1C2=C(C=CC(=C2)N)N=C3N1C(=O)C4=CC=CC=C43
InChI
InChI=1S/C15H11N3O/c16-10-5-6-13-9(7-10)8-18-14(17-13)11-3-1-2-4-12(11)15(18)19/h1-7H,8,16H2
InChIKey
SRIOCKJKFXAKHK-UHFFFAOYSA-N
Compound name
8-amino-10H-isoindolo[1,2-b]quinazolin-12-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

31
References

1397
Patents

249.09021 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09749 153.9
[M+Na]+ 272.07943 164.9
[M-H]- 248.08293 157.9
[M+NH4]+ 267.12403 173.1
[M+K]+ 288.05337 158.7
[M+H-H2O]+ 232.08747 145.9
[M+HCOO]- 294.08841 173.3
[M+CH3COO]- 308.10406 166.3
[M+Na-2H]- 270.06488 160.9
[M]+ 249.08966 153.3
[M]- 249.09076 153.3
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