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]+ 324.170676 186.5
[M+Na]+ 346.152618 192.3
[M-H]- 322.156124 190.4
[M+NH4]+ 341.197223 197.4
[M+K]+ 362.126558 187.7
[M+H-H2O]+ 306.160660 171.6
[M+HCOO]- 368.161601 203.6
[M+CH3COO]- 382.177251 222.9
[M+Na-2H]- 344.138066 187.9
[M]+ 323.16285142 180.0
[M]- 323.16394858 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