CID 54717595

Schembl13917645

Structural Information

Molecular Formula
C20H22N4O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C4C=CN(C4=CC=C3)C)C
InChI
InChI=1S/C20H22N4O4/c1-20(2)19-22-15(16(25)18(27)24(19)9-10-28-20)17(26)21-11-12-5-4-6-14-13(12)7-8-23(14)3/h4-8,25H,9-11H2,1-3H3,(H,21,26)
InChIKey
FBCJWOMNIALIFN-UHFFFAOYSA-N
Compound name
3-hydroxy-9,9-dimethyl-N-[(1-methylindol-4-yl)methyl]-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

10
Patents

382.1641 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17138 191.0
[M+Na]+ 405.15332 201.5
[M-H]- 381.15682 196.2
[M+NH4]+ 400.19792 202.6
[M+K]+ 421.12726 197.1
[M+H-H2O]+ 365.16136 181.5
[M+HCOO]- 427.16230 206.6
[M+CH3COO]- 441.17795 200.8
[M+Na-2H]- 403.13877 194.5
[M]+ 382.16355 195.0
[M]- 382.16465 195.0
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