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 188.9
[M+Na]+ 393.14342 196.9
[M-H]- 369.14692 195.1
[M+NH4]+ 388.18802 195.7
[M+K]+ 409.11736 188.7
[M+H-H2O]+ 353.15146 175.0
[M+HCOO]- 415.15240 210.0
[M+CH3COO]- 429.16805 197.7
[M+Na-2H]- 391.12887 198.6
[M]+ 370.15365 189.5
[M]- 370.15475 189.5
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.