CID 135511120

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

Structural Information

Molecular Formula
C14H16N4O3
SMILES
CN(C)C1=NC2=C(C(=O)N1)NC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C14H16N4O3/c1-18(2)14-16-11-7-5-9(20-3)10(21-4)6-8(7)15-12(11)13(19)17-14/h5-6,15H,1-4H3,(H,16,17,19)
InChIKey
SYVNGWHZMKRRPZ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.12225 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 164.8
[M+Na]+ 311.11147 176.5
[M-H]- 287.11497 166.7
[M+NH4]+ 306.15607 180.1
[M+K]+ 327.08541 172.2
[M+H-H2O]+ 271.11951 156.8
[M+HCOO]- 333.12045 184.7
[M+CH3COO]- 347.13610 204.3
[M+Na-2H]- 309.09692 170.2
[M]+ 288.12170 170.2
[M]- 288.12280 170.2
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.