CID 54717573

Schembl13917623

Structural Information

Molecular Formula
C19H24N4O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=C(C=C3)N(C)C)C
InChI
InChI=1S/C19H24N4O4/c1-19(2)18-21-14(15(24)17(26)23(18)9-10-27-19)16(25)20-11-12-5-7-13(8-6-12)22(3)4/h5-8,24H,9-11H2,1-4H3,(H,20,25)
InChIKey
VUKUGBZJEJLLQV-UHFFFAOYSA-N
Compound name
N-[[4-(dimethylamino)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

372.17975 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.18703 189.1
[M+Na]+ 395.16897 196.3
[M-H]- 371.17247 194.9
[M+NH4]+ 390.21357 199.7
[M+K]+ 411.14291 194.6
[M+H-H2O]+ 355.17701 179.2
[M+HCOO]- 417.17795 206.0
[M+CH3COO]- 431.19360 225.0
[M+Na-2H]- 393.15442 192.9
[M]+ 372.17920 191.4
[M]- 372.18030 191.4
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.