CID 505817

Schembl12290014

Structural Information

Molecular Formula
C23H23ClN2O2
SMILES
CCCCCCCCC1=CC2=C(C=C1)N=C3C(=O)C4=C(N3C2=O)C=CC(=C4)Cl
InChI
InChI=1S/C23H23ClN2O2/c1-2-3-4-5-6-7-8-15-9-11-19-17(13-15)23(28)26-20-12-10-16(24)14-18(20)21(27)22(26)25-19/h9-14H,2-8H2,1H3
InChIKey
UMFBXNDIKFNRNG-UHFFFAOYSA-N
Compound name
8-chloro-2-octylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

394.1448 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15208 198.1
[M+Na]+ 417.13402 209.6
[M-H]- 393.13752 201.7
[M+NH4]+ 412.17862 213.1
[M+K]+ 433.10796 200.6
[M+H-H2O]+ 377.14206 189.1
[M+HCOO]- 439.14300 211.0
[M+CH3COO]- 453.15865 207.9
[M+Na-2H]- 415.11947 199.6
[M]+ 394.14425 206.3
[M]- 394.14535 206.3
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