CID 390354

Nsc687690

Structural Information

Molecular Formula
C14H19N3O3
SMILES
CC1=CN2C(=NC(=CC2=O)CN(CCO)CCO)C=C1
InChI
InChI=1S/C14H19N3O3/c1-11-2-3-13-15-12(8-14(20)17(13)9-11)10-16(4-6-18)5-7-19/h2-3,8-9,18-19H,4-7,10H2,1H3
InChIKey
NBMHGLHEKXNNCO-UHFFFAOYSA-N
Compound name
2-[[bis(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14264 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14992 163.3
[M+Na]+ 300.13186 171.2
[M-H]- 276.13536 164.0
[M+NH4]+ 295.17646 177.1
[M+K]+ 316.10580 167.6
[M+H-H2O]+ 260.13990 154.9
[M+HCOO]- 322.14084 182.7
[M+CH3COO]- 336.15649 201.5
[M+Na-2H]- 298.11731 168.9
[M]+ 277.14209 166.4
[M]- 277.14319 166.4
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.