CID 6478565

Schembl9103281

Structural Information

Molecular Formula
C23H19ClN2O4
SMILES
CC(=O)OCCCC/C=C/C1=CC2=C(C=C1)N=C3C(=O)C4=C(N3C2=O)C=CC(=C4)Cl
InChI
InChI=1S/C23H19ClN2O4/c1-14(27)30-11-5-3-2-4-6-15-7-9-19-17(12-15)23(29)26-20-10-8-16(24)13-18(20)21(28)22(26)25-19/h4,6-10,12-13H,2-3,5,11H2,1H3/b6-4+
InChIKey
ZBYLTOVGHLCSRW-GQCTYLIASA-N
Compound name
[(E)-6-(8-chloro-6,12-dioxoindolo[2,1-b]quinazolin-2-yl)hex-5-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

422.10333 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11061 201.0
[M+Na]+ 445.09255 212.3
[M-H]- 421.09605 204.9
[M+NH4]+ 440.13715 214.5
[M+K]+ 461.06649 204.4
[M+H-H2O]+ 405.10059 192.4
[M+HCOO]- 467.10153 213.6
[M+CH3COO]- 481.11718 226.9
[M+Na-2H]- 443.07800 202.0
[M]+ 422.10278 210.0
[M]- 422.10388 210.0
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.