CID 496531

Nsc693094

Structural Information

Molecular Formula
C18H23N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](N(O2)CCO)COCC3=CC=CC=C3
InChI
InChI=1S/C18H23N3O5/c1-13-10-20(18(24)19-17(13)23)16-9-15(21(26-16)7-8-22)12-25-11-14-5-3-2-4-6-14/h2-6,10,15-16,22H,7-9,11-12H2,1H3,(H,19,23,24)/t15-,16-/m1/s1
InChIKey
XIRPGZCPZLSCDI-HZPDHXFCSA-N
Compound name
1-[(3R,5R)-2-(2-hydroxyethyl)-3-(phenylmethoxymethyl)-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.16376 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.17104 184.4
[M+Na]+ 384.15298 191.9
[M-H]- 360.15648 188.6
[M+NH4]+ 379.19758 191.9
[M+K]+ 400.12692 187.6
[M+H-H2O]+ 344.16102 174.3
[M+HCOO]- 406.16196 199.9
[M+CH3COO]- 420.17761 209.3
[M+Na-2H]- 382.13843 184.1
[M]+ 361.16321 186.2
[M]- 361.16431 186.2
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

No patent data available for this compound.