CID 476231

(5s,7s)-7-(bromomethyl)-4-ethyl-5-hydroxy-5-phenyl-6,7-dihydropyrrolo[1,2-c]pyrimidine-1,3-dione

Structural Information

Molecular Formula
C16H17BrN2O3
SMILES
CCC1=C2[C@](C[C@H](N2C(=O)NC1=O)CBr)(C3=CC=CC=C3)O
InChI
InChI=1S/C16H17BrN2O3/c1-2-12-13-16(22,10-6-4-3-5-7-10)8-11(9-17)19(13)15(21)18-14(12)20/h3-7,11,22H,2,8-9H2,1H3,(H,18,20,21)/t11-,16-/m0/s1
InChIKey
FOPGPRAMRBYKHZ-ZBEGNZNMSA-N
Compound name
(5S,7S)-7-(bromomethyl)-4-ethyl-5-hydroxy-5-phenyl-6,7-dihydropyrrolo[1,2-c]pyrimidine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.04224 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.04952 173.7
[M+Na]+ 387.03146 186.9
[M-H]- 363.03496 179.7
[M+NH4]+ 382.07606 191.4
[M+K]+ 403.00540 173.5
[M+H-H2O]+ 347.03950 173.1
[M+HCOO]- 409.04044 189.6
[M+CH3COO]- 423.05609 186.5
[M+Na-2H]- 385.01691 177.8
[M]+ 364.04169 192.9
[M]- 364.04279 192.9
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

No patent data available for this compound.