CID 3025360

1-cyclohexyl-3-(diphenylmethoxy)pyrrolidine

Structural Information

Molecular Formula
C23H29NO
SMILES
C1CCC(CC1)N2CCC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H29NO/c1-4-10-19(11-5-1)23(20-12-6-2-7-13-20)25-22-16-17-24(18-22)21-14-8-3-9-15-21/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2
InChIKey
ZQIZVEYSJWUOGI-UHFFFAOYSA-N
Compound name
3-benzhydryloxy-1-cyclohexylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23218 183.4
[M+Na]+ 358.21412 183.8
[M-H]- 334.21762 192.3
[M+NH4]+ 353.25872 195.5
[M+K]+ 374.18806 178.5
[M+H-H2O]+ 318.22216 172.3
[M+HCOO]- 380.22310 198.7
[M+CH3COO]- 394.23875 191.2
[M+Na-2H]- 356.19957 181.3
[M]+ 335.22435 175.3
[M]- 335.22545 175.3
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