CID 501436

(-)-n,n'-dibenzyl-d-tartaric diamide

Structural Information

Molecular Formula
C18H20N2O4
SMILES
C1=CC=C(C=C1)CNC(=O)[C@H]([C@@H](C(=O)NCC2=CC=CC=C2)O)O
InChI
InChI=1S/C18H20N2O4/c21-15(17(23)19-11-13-7-3-1-4-8-13)16(22)18(24)20-12-14-9-5-2-6-10-14/h1-10,15-16,21-22H,11-12H2,(H,19,23)(H,20,24)/t15-,16-/m0/s1
InChIKey
BBYSAHVLSFBCMN-HOTGVXAUSA-N
Compound name
(2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

328.1423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.149576 176.9
[M+Na]+ 351.131518 178.2
[M-H]- 327.135024 179.9
[M+NH4]+ 346.176123 187.5
[M+K]+ 367.105458 175.3
[M+H-H2O]+ 311.139560 168.3
[M+HCOO]- 373.140501 196.2
[M+CH3COO]- 387.156151 208.4
[M+Na-2H]- 349.116966 178.1
[M]+ 328.14175142 173.8
[M]- 328.14284858 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe