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

4
Patents

344.14847 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15575 184.1
[M+Na]+ 367.13769 194.5
[M-H]- 343.14119 188.9
[M+NH4]+ 362.18229 193.0
[M+K]+ 383.11163 190.7
[M+H-H2O]+ 327.14573 173.9
[M+HCOO]- 389.14667 199.7
[M+CH3COO]- 403.16232 218.5
[M+Na-2H]- 365.12314 185.3
[M]+ 344.14792 186.3
[M]- 344.14902 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