CID 135511126

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

Structural Information

Molecular Formula
C15H16N4O2
SMILES
C1COCCN1CC2=NC3=C(C(=O)N2)NC4=CC=CC=C43
InChI
InChI=1S/C15H16N4O2/c20-15-14-13(10-3-1-2-4-11(10)16-14)17-12(18-15)9-19-5-7-21-8-6-19/h1-4,16H,5-9H2,(H,17,18,20)
InChIKey
KQLGEYWPEUIYKF-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-3,5-dihydropyrimido[5,4-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.12732 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 164.5
[M+Na]+ 307.11654 173.5
[M-H]- 283.12004 165.8
[M+NH4]+ 302.16114 175.7
[M+K]+ 323.09048 167.4
[M+H-H2O]+ 267.12458 154.5
[M+HCOO]- 329.12552 177.1
[M+CH3COO]- 343.14117 174.0
[M+Na-2H]- 305.10199 169.9
[M]+ 284.12677 161.7
[M]- 284.12787 161.7
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.