CID 505808

Schembl9101513

Structural Information

Molecular Formula
C25H26N2O5
SMILES
CCCCCCC(C)OC(=O)C1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=CC=C4OC)C2=O
InChI
InChI=1S/C25H26N2O5/c1-4-5-6-7-9-15(2)32-25(30)16-12-13-19-18(14-16)22(28)23-26-21-17(24(29)27(19)23)10-8-11-20(21)31-3/h8,10-15H,4-7,9H2,1-3H3
InChIKey
SRGKMKAPZQYQLR-UHFFFAOYSA-N
Compound name
octan-2-yl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

434.18417 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.19145 206.9
[M+Na]+ 457.17339 215.3
[M-H]- 433.17689 210.6
[M+NH4]+ 452.21799 218.6
[M+K]+ 473.14733 210.3
[M+H-H2O]+ 417.18143 197.4
[M+HCOO]- 479.18237 222.1
[M+CH3COO]- 493.19802 233.5
[M+Na-2H]- 455.15884 206.5
[M]+ 434.18362 215.8
[M]- 434.18472 215.8
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.