CID 505832

Schembl9105478

Structural Information

Molecular Formula
C25H28ClN3O2
SMILES
CCCCCN(CCCCC)C1=CC2=C(C=C1)C(=O)N3C4=C(C=C(C=C4)Cl)C(=O)C3=N2
InChI
InChI=1S/C25H28ClN3O2/c1-3-5-7-13-28(14-8-6-4-2)18-10-11-19-21(16-18)27-24-23(30)20-15-17(26)9-12-22(20)29(24)25(19)31/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKey
QSXRJQHMKHKYGC-UHFFFAOYSA-N
Compound name
8-chloro-3-(dipentylamino)indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

437.187 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.19428 210.6
[M+Na]+ 460.17622 220.2
[M-H]- 436.17972 215.1
[M+NH4]+ 455.22082 224.0
[M+K]+ 476.15016 212.2
[M+H-H2O]+ 420.18426 200.9
[M+HCOO]- 482.18520 224.2
[M+CH3COO]- 496.20085 238.2
[M+Na-2H]- 458.16167 211.1
[M]+ 437.18645 220.1
[M]- 437.18755 220.1
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