CID 135436036

5719-50-6

Structural Information

Molecular Formula
C10H7N3O
SMILES
C1=CC=C2C(=C1)C3=C(N2)N=CNC3=O
InChI
InChI=1S/C10H7N3O/c14-10-8-6-3-1-2-4-7(6)13-9(8)11-5-12-10/h1-5H,(H2,11,12,13,14)
InChIKey
HGLOYSHAQVDDDZ-UHFFFAOYSA-N
Compound name
3,9-dihydropyrimido[4,5-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

185.05891 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.066186 135.7
[M+Na]+ 208.048128 148.0
[M-H]- 184.051634 135.7
[M+NH4]+ 203.092733 154.4
[M+K]+ 224.022068 141.8
[M+H-H2O]+ 168.056170 128.5
[M+HCOO]- 230.057111 155.4
[M+CH3COO]- 244.072761 148.9
[M+Na-2H]- 206.033576 145.5
[M]+ 185.05836142 135.3
[M]- 185.05945858 135.3
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

patents stripe