CID 356023

Acetylbatracylin

Structural Information

Molecular Formula
C17H13N3O2
SMILES
CC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2
InChI
InChI=1S/C17H13N3O2/c1-10(21)18-12-6-7-15-11(8-12)9-20-16(19-15)13-4-2-3-5-14(13)17(20)22/h2-8H,9H2,1H3,(H,18,21)
InChIKey
GIYORETUPYJWBA-UHFFFAOYSA-N
Compound name
N-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10077 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 165.1
[M+Na]+ 314.08999 174.8
[M-H]- 290.09349 169.2
[M+NH4]+ 309.13459 182.6
[M+K]+ 330.06393 169.2
[M+H-H2O]+ 274.09803 156.7
[M+HCOO]- 336.09897 183.7
[M+CH3COO]- 350.11462 176.5
[M+Na-2H]- 312.07544 170.9
[M]+ 291.10022 166.0
[M]- 291.10132 166.0
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

No patent data available for this compound.