CID 73549

Tryptanthrin

Structural Information

Molecular Formula
C15H8N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2
InChI
InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
InChIKey
VQQVWGVXDIPORV-UHFFFAOYSA-N
Compound name
indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

172
References

1805
Patents

248.05858 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.065856 152.2
[M+Na]+ 271.047798 165.1
[M-H]- 247.051304 157.2
[M+NH4]+ 266.092403 172.0
[M+K]+ 287.021738 159.1
[M+H-H2O]+ 231.055840 144.3
[M+HCOO]- 293.056781 172.9
[M+CH3COO]- 307.072431 165.8
[M+Na-2H]- 269.033246 160.4
[M]+ 248.05803142 155.2
[M]- 248.05912858 155.2
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