CID 135511123

Schembl9133519

Structural Information

Molecular Formula
C15H10N4O
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=O)NC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C15H10N4O/c20-15-13-12(10-5-1-2-6-11(10)17-13)18-14(19-15)9-4-3-7-16-8-9/h1-8,17H,(H,18,19,20)
InChIKey
QQCGGTRCPUDAPB-UHFFFAOYSA-N
Compound name
2-pyridin-3-yl-3,5-dihydropyrimido[5,4-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

262.08545 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09273 158.3
[M+Na]+ 285.07467 170.4
[M-H]- 261.07817 160.2
[M+NH4]+ 280.11927 172.0
[M+K]+ 301.04861 162.0
[M+H-H2O]+ 245.08271 148.7
[M+HCOO]- 307.08365 175.9
[M+CH3COO]- 321.09930 169.5
[M+Na-2H]- 283.06012 166.6
[M]+ 262.08490 157.8
[M]- 262.08600 157.8
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

patents stripe