CID 1077501

N-benzyl-2-imino-5-oxo-1-propyl-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C22H21N5O2
SMILES
CCCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=CC=C3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C22H21N5O2/c1-2-11-27-19(23)16(21(28)24-14-15-8-4-3-5-9-15)13-17-20(27)25-18-10-6-7-12-26(18)22(17)29/h3-10,12-13,23H,2,11,14H2,1H3,(H,24,28)
InChIKey
YJFBPUXGCIFQHZ-UHFFFAOYSA-N
Compound name
N-benzyl-6-imino-2-oxo-7-propyl-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

387.16953 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17681 192.8
[M+Na]+ 410.15875 209.2
[M+NH4]+ 405.20335 198.9
[M+K]+ 426.13269 200.4
[M-H]- 386.16225 197.6
[M+Na-2H]- 408.14420 201.1
[M]+ 387.16898 196.4
[M]- 387.17008 196.4
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.