CID 6478564

8-chloro-2-[(e)-oct-1-enyl]indolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C23H21ClN2O2
SMILES
CCCCCC/C=C/C1=CC2=C(C=C1)N=C3C(=O)C4=C(N3C2=O)C=CC(=C4)Cl
InChI
InChI=1S/C23H21ClN2O2/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/h7-14H,2-6H2,1H3/b8-7+
InChIKey
URNKNWMUFRNTAH-BQYQJAHWSA-N
Compound name
8-chloro-2-[(E)-oct-1-enyl]indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.12915 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13643 197.4
[M+Na]+ 415.11837 209.2
[M-H]- 391.12187 201.0
[M+NH4]+ 410.16297 212.4
[M+K]+ 431.09231 199.6
[M+H-H2O]+ 375.12641 188.5
[M+HCOO]- 437.12735 210.4
[M+CH3COO]- 451.14300 207.3
[M+Na-2H]- 413.10382 198.8
[M]+ 392.12860 204.8
[M]- 392.12970 204.8
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.