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
2
Annotation Hits

171
References

1674
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

literature stripe

Patent stripe

patents stripe