CID 505799

Schembl9105381

Structural Information

Molecular Formula
C23H14N2O4
SMILES
C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)N4C(=NC5=CC=CC=C5C4=O)C3=O
InChI
InChI=1S/C23H14N2O4/c26-20-17-12-15(23(28)29-13-14-6-2-1-3-7-14)10-11-19(17)25-21(20)24-18-9-5-4-8-16(18)22(25)27/h1-12H,13H2
InChIKey
YUKSZCFASRSACT-UHFFFAOYSA-N
Compound name
benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

382.09537 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10265 189.6
[M+Na]+ 405.08459 199.9
[M-H]- 381.08809 197.1
[M+NH4]+ 400.12919 202.7
[M+K]+ 421.05853 193.5
[M+H-H2O]+ 365.09263 179.0
[M+HCOO]- 427.09357 207.7
[M+CH3COO]- 441.10922 200.0
[M+Na-2H]- 403.07004 193.8
[M]+ 382.09482 193.9
[M]- 382.09592 193.9
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

patents stripe