CID 204390

16226-59-8

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCCN1CCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H27NO/c1-2-3-16-22-17-10-15-20(22)21(23,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,23H,2-3,10,15-17H2,1H3
InChIKey
PFQSSMKHKLCPPA-UHFFFAOYSA-N
Compound name
(1-butylpyrrolidin-2-yl)-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 177.4
[M+Na]+ 332.19848 180.9
[M-H]- 308.20198 183.2
[M+NH4]+ 327.24308 191.2
[M+K]+ 348.17242 175.3
[M+H-H2O]+ 292.20652 168.4
[M+HCOO]- 354.20746 194.4
[M+CH3COO]- 368.22311 203.0
[M+Na-2H]- 330.18393 179.0
[M]+ 309.20871 174.1
[M]- 309.20981 174.1
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