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

77
Patents

336.22015 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.227426 184.8
[M+Na]+ 359.209368 188.1
[M-H]- 335.212874 193.4
[M+NH4]+ 354.253973 198.5
[M+K]+ 375.183308 183.8
[M+H-H2O]+ 319.217410 174.6
[M+HCOO]- 381.218351 205.3
[M+CH3COO]- 395.234001 216.8
[M+Na-2H]- 357.194816 183.4
[M]+ 336.21960142 183.7
[M]- 336.22069858 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