CID 54717572

Schembl13917621

Structural Information

Molecular Formula
C17H20N4O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=C(C=C3)N)C
InChI
InChI=1S/C17H20N4O4/c1-17(2)16-20-12(13(22)15(24)21(16)7-8-25-17)14(23)19-9-10-3-5-11(18)6-4-10/h3-6,22H,7-9,18H2,1-2H3,(H,19,23)
InChIKey
OMXQUJODHQTWQE-UHFFFAOYSA-N
Compound name
N-[(4-aminophenyl)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

8
Patents

344.14847 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15575 181.6
[M+Na]+ 367.13769 189.7
[M-H]- 343.14119 186.0
[M+NH4]+ 362.18229 192.5
[M+K]+ 383.11163 186.6
[M+H-H2O]+ 327.14573 172.3
[M+HCOO]- 389.14667 198.1
[M+CH3COO]- 403.16232 215.6
[M+Na-2H]- 365.12314 186.0
[M]+ 344.14792 181.2
[M]- 344.14902 181.2
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