CID 3151410

2-imino-1-(2-methoxyethyl)-10-methyl-5-oxo-n-(pyridin-3-ylmethyl)-2,5-dihydro-1h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C22H22N6O3
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCOC)C(=O)NCC4=CN=CC=C4
InChI
InChI=1S/C22H22N6O3/c1-14-5-4-8-28-19(14)26-20-17(22(28)30)11-16(18(23)27(20)9-10-31-2)21(29)25-13-15-6-3-7-24-12-15/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,25,29)
InChIKey
CTBXWLIBWHUSRD-UHFFFAOYSA-N
Compound name
6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

418.17532 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18260 200.6
[M+Na]+ 441.16454 216.6
[M+NH4]+ 436.20914 205.2
[M+K]+ 457.13848 208.8
[M-H]- 417.16804 204.2
[M+Na-2H]- 439.14999 207.7
[M]+ 418.17477 203.8
[M]- 418.17587 203.8
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

No patent data available for this compound.