CID 199423

4151-01-3

Structural Information

Molecular Formula
C22H29NO
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2C)(C(C)CN3CCCC3)O
InChI
InChI=1S/C22H29NO/c1-17-10-4-6-12-20(17)22(24,21-13-7-5-11-18(21)2)19(3)16-23-14-8-9-15-23/h4-7,10-13,19,24H,8-9,14-16H2,1-3H3
InChIKey
WJYAOPLUPQYLTO-UHFFFAOYSA-N
Compound name
2-methyl-1,1-bis(2-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 181.6
[M+Na]+ 346.21412 185.3
[M-H]- 322.21762 187.8
[M+NH4]+ 341.25872 195.1
[M+K]+ 362.18806 180.0
[M+H-H2O]+ 306.22216 173.0
[M+HCOO]- 368.22310 197.3
[M+CH3COO]- 382.23875 207.9
[M+Na-2H]- 344.19957 180.9
[M]+ 323.22435 178.5
[M]- 323.22545 178.5
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

No patent data available for this compound.