CID 20015

Hexahydro-alpha,alpha-diphenyl-beta-methyl-1h-azepine-1-propanol

Structural Information

Molecular Formula
C22H29NO
SMILES
CC(CN1CCCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H29NO/c1-19(18-23-16-10-2-3-11-17-23)22(24,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,19,24H,2-3,10-11,16-18H2,1H3
InChIKey
RHTHJITVIHGSEE-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-2-methyl-1,1-diphenylpropan-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 179.2
[M+Na]+ 346.21412 179.1
[M-H]- 322.21762 185.0
[M+NH4]+ 341.25872 189.2
[M+K]+ 362.18806 178.5
[M+H-H2O]+ 306.22216 170.8
[M+HCOO]- 368.22310 192.3
[M+CH3COO]- 382.23875 206.5
[M+Na-2H]- 344.19957 181.2
[M]+ 323.22435 170.3
[M]- 323.22545 170.3
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

No patent data available for this compound.