CID 24209868

131457-47-1

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CC(C)(C(=O)N[C@H](CO)C1=CC=CC=C1)C(=O)N[C@H](CO)C2=CC=CC=C2
InChI
InChI=1S/C21H26N2O4/c1-21(2,19(26)22-17(13-24)15-9-5-3-6-10-15)20(27)23-18(14-25)16-11-7-4-8-12-16/h3-12,17-18,24-25H,13-14H2,1-2H3,(H,22,26)(H,23,27)/t17-,18-/m1/s1
InChIKey
NTTZCNSPNMRTSV-QZTJIDSGSA-N
Compound name
N,N'-bis[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

370.18927 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 189.1
[M+Na]+ 393.17849 189.3
[M-H]- 369.18199 191.7
[M+NH4]+ 388.22309 198.0
[M+K]+ 409.15243 186.6
[M+H-H2O]+ 353.18653 180.6
[M+HCOO]- 415.18747 205.7
[M+CH3COO]- 429.20312 217.6
[M+Na-2H]- 391.16394 189.8
[M]+ 370.18872 186.5
[M]- 370.18982 186.5
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

No patent data available for this compound.