CID 53596585

1333675-20-9

Structural Information

Molecular Formula
C17H20N4O4
SMILES
CC1CN(C2=CC=CC=C2O1)CC(=O)C3=C(N(C(=O)N(C3=O)C)C)N
InChI
InChI=1S/C17H20N4O4/c1-10-8-21(11-6-4-5-7-13(11)25-10)9-12(22)14-15(18)19(2)17(24)20(3)16(14)23/h4-7,10H,8-9,18H2,1-3H3
InChIKey
MYYGYABCGJTXET-UHFFFAOYSA-N
Compound name
6-amino-1,3-dimethyl-5-[2-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

344.14847 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.155746 184.1
[M+Na]+ 367.137688 194.5
[M-H]- 343.141194 188.9
[M+NH4]+ 362.182293 193.0
[M+K]+ 383.111628 190.7
[M+H-H2O]+ 327.145730 173.9
[M+HCOO]- 389.146671 199.7
[M+CH3COO]- 403.162321 218.5
[M+Na-2H]- 365.123136 185.3
[M]+ 344.14792142 186.3
[M]- 344.14901858 186.3
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