CID 1275133

2-[(3-pyridinylmethyl)amino]-3-((e)-{[(e)-3-pyridinylmethyl]imino}methyl)-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C21H18N6O
SMILES
C1=CC2=NC(=C(C(=O)N2C=C1)C=NCC3=CN=CC=C3)NCC4=CN=CC=C4
InChI
InChI=1S/C21H18N6O/c28-21-18(15-24-13-16-5-3-8-22-11-16)20(25-14-17-6-4-9-23-12-17)26-19-7-1-2-10-27(19)21/h1-12,15,25H,13-14H2
InChIKey
OZSVRVJYGOLJBX-UHFFFAOYSA-N
Compound name
2-(pyridin-3-ylmethylamino)-3-(pyridin-3-ylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

370.1542 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16148 188.3
[M+Na]+ 393.14342 205.4
[M+NH4]+ 388.18802 194.9
[M+K]+ 409.11736 195.5
[M-H]- 369.14692 194.9
[M+Na-2H]- 391.12887 200.2
[M]+ 370.15365 192.6
[M]- 370.15475 192.6
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.