CID 67200502

1299492-07-1

Structural Information

Molecular Formula
C19H21N3O2
SMILES
C[C@](CC1=CC=C(C=C1)OC)(C#N)N[C@H](C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C19H21N3O2/c1-19(13-20,12-14-8-10-16(24-2)11-9-14)22-17(18(21)23)15-6-4-3-5-7-15/h3-11,17,22H,12H2,1-2H3,(H2,21,23)/t17-,19+/m1/s1
InChIKey
GUUOMAIUWBBYQH-MJGOQNOKSA-N
Compound name
(2R)-2-[[(2S)-2-cyano-1-(4-methoxyphenyl)propan-2-yl]amino]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

323.1634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 186.5
[M+Na]+ 346.15262 192.3
[M-H]- 322.15612 190.4
[M+NH4]+ 341.19722 197.4
[M+K]+ 362.12656 187.7
[M+H-H2O]+ 306.16066 171.6
[M+HCOO]- 368.16160 203.6
[M+CH3COO]- 382.17725 222.9
[M+Na-2H]- 344.13807 187.9
[M]+ 323.16285 180.0
[M]- 323.16395 180.0
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

patents stripe