CID 3035728

Qingdainone

Structural Information

Molecular Formula
C23H13N3O2
SMILES
C1=CC=C2C(=C1)C(=O)/C(=C\3/C4=CC=CC=C4N5C3=NC6=CC=CC=C6C5=O)/N2
InChI
InChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19+
InChIKey
DXENDDMPDZMHSQ-FMQUCBEESA-N
Compound name
(6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

102
Patents

363.10077 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10805 185.5
[M+Na]+ 386.08999 199.2
[M-H]- 362.09349 193.0
[M+NH4]+ 381.13459 200.9
[M+K]+ 402.06393 189.4
[M+H-H2O]+ 346.09803 176.0
[M+HCOO]- 408.09897 203.5
[M+CH3COO]- 422.11462 196.6
[M+Na-2H]- 384.07544 189.3
[M]+ 363.10022 188.2
[M]- 363.10132 188.2
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