CID 214738

34067-03-3

Structural Information

Molecular Formula
C21H25NO
SMILES
CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N3CCCC3C
InChI
InChI=1S/C21H25NO/c1-3-21(18-12-6-4-7-13-18,19-14-8-5-9-15-19)20(23)22-16-10-11-17(22)2/h4-9,12-15,17H,3,10-11,16H2,1-2H3
InChIKey
DWIZRPDYYVIEIV-UHFFFAOYSA-N
Compound name
1-(2-methylpyrrolidin-1-yl)-2,2-diphenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 176.6
[M+Na]+ 330.18282 180.6
[M-H]- 306.18632 184.0
[M+NH4]+ 325.22742 191.1
[M+K]+ 346.15676 175.8
[M+H-H2O]+ 290.19086 167.6
[M+HCOO]- 352.19180 194.3
[M+CH3COO]- 366.20745 204.9
[M+Na-2H]- 328.16827 177.4
[M]+ 307.19305 173.7
[M]- 307.19415 173.7
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