CID 135511130

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

Structural Information

Molecular Formula
C20H20N6O
SMILES
C1CN(CCN1CC2=NC3=C(C(=O)N2)NC4=CC=CC=C43)C5=CC=CC=N5
InChI
InChI=1S/C20H20N6O/c27-20-19-18(14-5-1-2-6-15(14)22-19)23-16(24-20)13-25-9-11-26(12-10-25)17-7-3-4-8-21-17/h1-8,22H,9-13H2,(H,23,24,27)
InChIKey
GMUXPZUJOAEOQJ-UHFFFAOYSA-N
Compound name
2-[(4-pyridin-2-ylpiperazin-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

360.16986 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17714 188.0
[M+Na]+ 383.15908 196.6
[M-H]- 359.16258 189.1
[M+NH4]+ 378.20368 194.0
[M+K]+ 399.13302 186.4
[M+H-H2O]+ 343.16712 175.0
[M+HCOO]- 405.16806 197.8
[M+CH3COO]- 419.18371 194.8
[M+Na-2H]- 381.14453 191.6
[M]+ 360.16931 183.5
[M]- 360.17041 183.5
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.