CID 135511127

2-(1-piperidylmethyl)-3,5-dihydropyrimido[5,4-b]indol-4-one

Structural Information

Molecular Formula
C16H18N4O
SMILES
C1CCN(CC1)CC2=NC3=C(C(=O)N2)NC4=CC=CC=C43
InChI
InChI=1S/C16H18N4O/c21-16-15-14(11-6-2-3-7-12(11)17-15)18-13(19-16)10-20-8-4-1-5-9-20/h2-3,6-7,17H,1,4-5,8-10H2,(H,18,19,21)
InChIKey
HRCHUJSZOXLPBL-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)-3,5-dihydropyrimido[5,4-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.14807 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15535 166.0
[M+Na]+ 305.13729 174.5
[M-H]- 281.14079 166.4
[M+NH4]+ 300.18189 178.6
[M+K]+ 321.11123 166.6
[M+H-H2O]+ 265.14533 155.9
[M+HCOO]- 327.14627 179.0
[M+CH3COO]- 341.16192 175.2
[M+Na-2H]- 303.12274 170.6
[M]+ 282.14752 161.5
[M]- 282.14862 161.5
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.