CID 6478562

Schembl9104830

Structural Information

Molecular Formula
C24H24N2O3
SMILES
CCCCCC/C=C/C1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=CC=C4OC)C2=O
InChI
InChI=1S/C24H24N2O3/c1-3-4-5-6-7-8-10-16-13-14-19-18(15-16)22(27)23-25-21-17(24(28)26(19)23)11-9-12-20(21)29-2/h8-15H,3-7H2,1-2H3/b10-8+
InChIKey
YDJCPVPSBWFFHT-CSKARUKUSA-N
Compound name
4-methoxy-8-[(E)-oct-1-enyl]indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

388.17868 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18596 197.4
[M+Na]+ 411.16790 207.8
[M-H]- 387.17140 201.2
[M+NH4]+ 406.21250 211.6
[M+K]+ 427.14184 200.1
[M+H-H2O]+ 371.17594 187.9
[M+HCOO]- 433.17688 214.9
[M+CH3COO]- 447.19253 224.6
[M+Na-2H]- 409.15335 199.2
[M]+ 388.17813 204.4
[M]- 388.17923 204.4
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