CID 28887

Sa 35

Structural Information

Molecular Formula
C22H28N2O
SMILES
CC1=C(C(=CC=C1)C)N(CCN2CCCC2)C(=O)CC3=CC=CC=C3
InChI
InChI=1S/C22H28N2O/c1-18-9-8-10-19(2)22(18)24(16-15-23-13-6-7-14-23)21(25)17-20-11-4-3-5-12-20/h3-5,8-12H,6-7,13-17H2,1-2H3
InChIKey
BVJQBGAPSXRSRX-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

336.22015 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22743 184.8
[M+Na]+ 359.20937 188.1
[M-H]- 335.21287 193.4
[M+NH4]+ 354.25397 198.5
[M+K]+ 375.18331 183.8
[M+H-H2O]+ 319.21741 174.6
[M+HCOO]- 381.21835 205.3
[M+CH3COO]- 395.23400 216.8
[M+Na-2H]- 357.19482 183.4
[M]+ 336.21960 183.7
[M]- 336.22070 183.7
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