CID 505806

4-methoxy-8-octylsulfonyl-indolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C24H26N2O5S
SMILES
CCCCCCCCS(=O)(=O)C1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=CC=C4OC)C2=O
InChI
InChI=1S/C24H26N2O5S/c1-3-4-5-6-7-8-14-32(29,30)16-12-13-19-18(15-16)22(27)23-25-21-17(24(28)26(19)23)10-9-11-20(21)31-2/h9-13,15H,3-8,14H2,1-2H3
InChIKey
MGYWBCAGENIREB-UHFFFAOYSA-N
Compound name
4-methoxy-8-octylsulfonylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.15625 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.16353 211.6
[M+Na]+ 477.14547 221.7
[M-H]- 453.14897 215.4
[M+NH4]+ 472.19007 223.5
[M+K]+ 493.11941 215.5
[M+H-H2O]+ 437.15351 203.7
[M+HCOO]- 499.15445 223.2
[M+CH3COO]- 513.17010 232.8
[M+Na-2H]- 475.13092 213.5
[M]+ 454.15570 223.0
[M]- 454.15680 223.0
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.