CID 1192925

477735-21-0

Structural Information

Molecular Formula
C20H21N5O4
SMILES
C1COCCN1C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)N4CCOCC4
InChI
InChI=1S/C20H21N5O4/c21-14-15(19(26)24-7-11-29-12-8-24)13-16-18(23-5-9-28-10-6-23)22-17-3-1-2-4-25(17)20(16)27/h1-4,13H,5-12H2/b15-13+
InChIKey
YNWPQGZWKXECAQ-FYWRMAATSA-N
Compound name
(E)-2-(morpholine-4-carbonyl)-3-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.15936 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.16664 187.8
[M+Na]+ 418.14858 193.3
[M-H]- 394.15208 189.1
[M+NH4]+ 413.19318 189.0
[M+K]+ 434.12252 187.7
[M+H-H2O]+ 378.15662 167.9
[M+HCOO]- 440.15756 191.5
[M+CH3COO]- 454.17321 192.2
[M+Na-2H]- 416.13403 188.1
[M]+ 395.15881 177.4
[M]- 395.15991 177.4
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.