CID 54692324

Schembl2892013

Structural Information

Molecular Formula
C19H22FN3O5
SMILES
CC(C)N1C(=O)C(=C2C(=O)N(CC(N2C1=O)CCO)CC3=CC=C(C=C3)F)O
InChI
InChI=1S/C19H22FN3O5/c1-11(2)22-18(27)16(25)15-17(26)21(9-12-3-5-13(20)6-4-12)10-14(7-8-24)23(15)19(22)28/h3-6,11,14,24-25H,7-10H2,1-2H3
InChIKey
BBSAFKDBOYJYGQ-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)-7-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

391.15436 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.16164 192.7
[M+Na]+ 414.14358 202.4
[M-H]- 390.14708 193.1
[M+NH4]+ 409.18818 200.1
[M+K]+ 430.11752 196.6
[M+H-H2O]+ 374.15162 182.1
[M+HCOO]- 436.15256 204.1
[M+CH3COO]- 450.16821 221.2
[M+Na-2H]- 412.12903 191.0
[M]+ 391.15381 193.7
[M]- 391.15491 193.7
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