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]+ 371.196546 189.1
[M+Na]+ 393.178488 189.3
[M-H]- 369.181994 191.7
[M+NH4]+ 388.223093 198.0
[M+K]+ 409.152428 186.6
[M+H-H2O]+ 353.186530 180.6
[M+HCOO]- 415.187471 205.7
[M+CH3COO]- 429.203121 217.6
[M+Na-2H]- 391.163936 189.8
[M]+ 370.18872142 186.5
[M]- 370.18981858 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.