CID 9578650

36146-44-8

Structural Information

Molecular Formula
C18H21N5O3
SMILES
C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=N/N4CCOC4=O
InChI
InChI=1S/C18H21N5O3/c24-17-14(13-19-23-11-12-26-18(23)25)16(21-8-4-1-2-5-9-21)20-15-7-3-6-10-22(15)17/h3,6-7,10,13H,1-2,4-5,8-9,11-12H2/b19-13+
InChIKey
FRKGTQMKDGCKBB-CPNJWEJPSA-N
Compound name
3-[(E)-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.16443 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17171 185.3
[M+Na]+ 378.15365 190.9
[M-H]- 354.15715 192.9
[M+NH4]+ 373.19825 193.1
[M+K]+ 394.12759 190.5
[M+H-H2O]+ 338.16169 172.1
[M+HCOO]- 400.16263 199.7
[M+CH3COO]- 414.17828 193.5
[M+Na-2H]- 376.13910 186.2
[M]+ 355.16388 179.9
[M]- 355.16498 179.9
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.