CID 1050204

1-benzyl-2-imino-10-methyl-5-oxo-n-(3-pyridinylmethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C26H22N6O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5
InChI
InChI=1S/C26H22N6O2/c1-17-7-6-12-31-23(17)30-24-21(26(31)34)13-20(25(33)29-15-19-10-5-11-28-14-19)22(27)32(24)16-18-8-3-2-4-9-18/h2-14,27H,15-16H2,1H3,(H,29,33)
InChIKey
KYZONIKCRUWTNI-UHFFFAOYSA-N
Compound name
7-benzyl-6-imino-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

0
References

0
Patents

450.18042 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.18770 209.9
[M+Na]+ 473.16964 228.4
[M+NH4]+ 468.21424 215.6
[M+K]+ 489.14358 218.7
[M-H]- 449.17314 216.7
[M+Na-2H]- 471.15509 220.3
[M]+ 450.17987 214.6
[M]- 450.18097 214.6
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

No patent data available for this compound.