CID 3044813

57734-82-4

Structural Information

Molecular Formula
C20H21Cl2NO
SMILES
C1CN2CCC1C(C2)C(C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C20H21Cl2NO/c21-17-5-1-15(2-6-17)20(24,16-3-7-18(22)8-4-16)19-13-23-11-9-14(19)10-12-23/h1-8,14,19,24H,9-13H2
InChIKey
NEZSCPUXWGRDFD-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl-bis(4-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

361.1 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10728 182.6
[M+Na]+ 384.08922 187.4
[M-H]- 360.09272 181.8
[M+NH4]+ 379.13382 198.6
[M+K]+ 400.06316 180.2
[M+H-H2O]+ 344.09726 175.5
[M+HCOO]- 406.09820 180.5
[M+CH3COO]- 420.11385 189.5
[M+Na-2H]- 382.07467 190.4
[M]+ 361.09945 184.5
[M]- 361.10055 184.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe