CID 135511129

2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-3,5-dihydropyrimido[5,4-b]indol-4-one

Structural Information

Molecular Formula
C23H25N5O2
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CC3=NC4=C(C(=O)N3)NC5=CC=CC=C54
InChI
InChI=1S/C23H25N5O2/c1-2-30-19-10-6-5-9-18(19)28-13-11-27(12-14-28)15-20-25-21-16-7-3-4-8-17(16)24-22(21)23(29)26-20/h3-10,24H,2,11-15H2,1H3,(H,25,26,29)
InChIKey
DWTASNQTSKWKJE-UHFFFAOYSA-N
Compound name
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-3,5-dihydropyrimido[5,4-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.20084 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.20812 199.8
[M+Na]+ 426.19006 207.5
[M-H]- 402.19356 202.0
[M+NH4]+ 421.23466 205.6
[M+K]+ 442.16400 197.9
[M+H-H2O]+ 386.19810 186.9
[M+HCOO]- 448.19904 210.0
[M+CH3COO]- 462.21469 206.1
[M+Na-2H]- 424.17551 201.3
[M]+ 403.20029 197.3
[M]- 403.20139 197.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.