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

1790
Patents

248.05858 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06586 152.2
[M+Na]+ 271.04780 165.1
[M-H]- 247.05130 157.2
[M+NH4]+ 266.09240 172.0
[M+K]+ 287.02174 159.1
[M+H-H2O]+ 231.05584 144.3
[M+HCOO]- 293.05678 172.9
[M+CH3COO]- 307.07243 165.8
[M+Na-2H]- 269.03325 160.4
[M]+ 248.05803 155.2
[M]- 248.05913 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.