CID 505807

169038-55-5

Structural Information

Molecular Formula
C21H20N4O5S
SMILES
CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N4C(=NC5=C(C4=O)C=CC=C5OC)C3=O
InChI
InChI=1S/C21H20N4O5S/c1-23-8-10-24(11-9-23)31(28,29)13-6-7-16-15(12-13)19(26)20-22-18-14(21(27)25(16)20)4-3-5-17(18)30-2/h3-7,12H,8-11H2,1-2H3
InChIKey
CVNVGJRRVSMSKY-UHFFFAOYSA-N
Compound name
4-methoxy-8-(4-methylpiperazin-1-yl)sulfonylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.11545 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.12273 205.7
[M+Na]+ 463.10467 216.2
[M-H]- 439.10817 210.2
[M+NH4]+ 458.14927 214.8
[M+K]+ 479.07861 210.3
[M+H-H2O]+ 423.11271 196.6
[M+HCOO]- 485.11365 212.7
[M+CH3COO]- 499.12930 213.7
[M+Na-2H]- 461.09012 207.5
[M]+ 440.11490 210.7
[M]- 440.11600 210.7
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.