CID 135511122

3,4-dihydropyrimido[5,4-b]indo-4-one-7,8-dimethoxy-2'-pyridyl

Structural Information

Molecular Formula
C17H14N4O3
SMILES
COC1=C(C=C2C(=C1)C3=C(N2)C(=O)NC(=N3)C4=CC=CC=N4)OC
InChI
InChI=1S/C17H14N4O3/c1-23-12-7-9-11(8-13(12)24-2)19-15-14(9)20-16(21-17(15)22)10-5-3-4-6-18-10/h3-8,19H,1-2H3,(H,20,21,22)
InChIKey
JQHRZDNALOGPDR-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-2-pyridin-2-yl-3,5-dihydropyrimido[5,4-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.1066 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11388 175.0
[M+Na]+ 345.09582 187.3
[M-H]- 321.09932 177.4
[M+NH4]+ 340.14042 186.5
[M+K]+ 361.06976 180.0
[M+H-H2O]+ 305.10386 165.1
[M+HCOO]- 367.10480 192.0
[M+CH3COO]- 381.12045 185.5
[M+Na-2H]- 343.08127 180.8
[M]+ 322.10605 178.6
[M]- 322.10715 178.6
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.