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

11
Patents

343.1532 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.160476 183.0
[M+Na]+ 366.142418 191.4
[M-H]- 342.145924 187.8
[M+NH4]+ 361.187023 192.8
[M+K]+ 382.116358 187.9
[M+H-H2O]+ 326.150460 173.4
[M+HCOO]- 388.151401 198.7
[M+CH3COO]- 402.167051 215.4
[M+Na-2H]- 364.127866 185.3
[M]+ 343.15265142 184.5
[M]- 343.15374858 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