CID 135511125

2-methyl-n-diethyl-3,4-dihydropyrimido[5,4-b]indo-4-one

Structural Information

Molecular Formula
C15H18N4O
SMILES
CCN(CC)CC1=NC2=C(C(=O)N1)NC3=CC=CC=C32
InChI
InChI=1S/C15H18N4O/c1-3-19(4-2)9-12-17-13-10-7-5-6-8-11(10)16-14(13)15(20)18-12/h5-8,16H,3-4,9H2,1-2H3,(H,17,18,20)
InChIKey
IYKFZCATNXJTAQ-UHFFFAOYSA-N
Compound name
2-(diethylaminomethyl)-3,5-dihydropyrimido[5,4-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.14807 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15535 162.4
[M+Na]+ 293.13729 172.4
[M-H]- 269.14079 163.3
[M+NH4]+ 288.18189 178.1
[M+K]+ 309.11123 166.4
[M+H-H2O]+ 253.14533 154.0
[M+HCOO]- 315.14627 181.8
[M+CH3COO]- 329.16192 173.6
[M+Na-2H]- 291.12274 168.6
[M]+ 270.14752 164.5
[M]- 270.14862 164.5
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.