CID 54735129

Schembl12865125

Structural Information

Molecular Formula
C18H19N5O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=NC4=CC=CC=C4N3)C
InChI
InChI=1S/C18H19N5O4/c1-18(2)17-22-13(14(24)16(26)23(17)7-8-27-18)15(25)19-9-12-20-10-5-3-4-6-11(10)21-12/h3-6,24H,7-9H2,1-2H3,(H,19,25)(H,20,21)
InChIKey
FJRQBKYOZSVDTJ-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-ylmethyl)-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

3
Patents

369.1437 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15098 186.3
[M+Na]+ 392.13292 196.4
[M-H]- 368.13642 188.9
[M+NH4]+ 387.17752 196.1
[M+K]+ 408.10686 191.4
[M+H-H2O]+ 352.14096 176.5
[M+HCOO]- 414.14190 199.8
[M+CH3COO]- 428.15755 195.3
[M+Na-2H]- 390.11837 191.1
[M]+ 369.14315 188.1
[M]- 369.14425 188.1
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