CID 505825

2-octylindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C23H24N2O2
SMILES
CCCCCCCCC1=CC2=C(C=C1)N=C3C(=O)C4=CC=CC=C4N3C2=O
InChI
InChI=1S/C23H24N2O2/c1-2-3-4-5-6-7-10-16-13-14-19-18(15-16)23(27)25-20-12-9-8-11-17(20)21(26)22(25)24-19/h8-9,11-15H,2-7,10H2,1H3
InChIKey
YFESCPOWLPTXEK-UHFFFAOYSA-N
Compound name
2-octylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.18378 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19106 190.4
[M+Na]+ 383.17300 200.2
[M-H]- 359.17650 193.9
[M+NH4]+ 378.21760 205.6
[M+K]+ 399.14694 192.5
[M+H-H2O]+ 343.18104 180.8
[M+HCOO]- 405.18198 208.0
[M+CH3COO]- 419.19763 200.4
[M+Na-2H]- 381.15845 193.2
[M]+ 360.18323 196.0
[M]- 360.18433 196.0
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.