CID 135511132

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

Structural Information

Molecular Formula
C20H19N5O3
SMILES
C1CN(CCN1CC2=NC3=C(C(=O)N2)NC4=CC=CC=C43)C(=O)C5=CC=CO5
InChI
InChI=1S/C20H19N5O3/c26-19-18-17(13-4-1-2-5-14(13)21-18)22-16(23-19)12-24-7-9-25(10-8-24)20(27)15-6-3-11-28-15/h1-6,11,21H,7-10,12H2,(H,22,23,26)
InChIKey
MEUUBRQIHSKFEO-UHFFFAOYSA-N
Compound name
2-[[4-(furan-2-carbonyl)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

377.1488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.15608 186.6
[M+Na]+ 400.13802 195.7
[M-H]- 376.14152 191.0
[M+NH4]+ 395.18262 194.0
[M+K]+ 416.11196 189.0
[M+H-H2O]+ 360.14606 176.0
[M+HCOO]- 422.14700 198.9
[M+CH3COO]- 436.16265 195.0
[M+Na-2H]- 398.12347 187.3
[M]+ 377.14825 186.1
[M]- 377.14935 186.1
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.