CID 54717367

Schembl13917333

Structural Information

Molecular Formula
C18H21N3O4
SMILES
CC1C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC(=C(C=C3)C)C
InChI
InChI=1S/C18H21N3O4/c1-10-4-5-13(8-11(10)2)9-19-17(23)14-15(22)18(24)21-6-7-25-12(3)16(21)20-14/h4-5,8,12,22H,6-7,9H2,1-3H3,(H,19,23)
InChIKey
JSRRHRCRNGLLTG-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethylphenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

343.1532 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16048 183.0
[M+Na]+ 366.14242 191.4
[M-H]- 342.14592 187.8
[M+NH4]+ 361.18702 192.8
[M+K]+ 382.11636 187.9
[M+H-H2O]+ 326.15046 173.4
[M+HCOO]- 388.15140 198.7
[M+CH3COO]- 402.16705 215.4
[M+Na-2H]- 364.12787 185.3
[M]+ 343.15265 184.5
[M]- 343.15375 184.5
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

patents stripe