CID 417861

Nsc95577

Structural Information

Molecular Formula
C22H29NO
SMILES
C1CCCN(CC1)CCC(CC2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H29NO/c24-22(21-13-7-4-8-14-21,19-20-11-5-3-6-12-20)15-18-23-16-9-1-2-10-17-23/h3-8,11-14,24H,1-2,9-10,15-19H2
InChIKey
WQEUYXOZRDYRAH-UHFFFAOYSA-N
Compound name
4-(azepan-1-yl)-1,2-diphenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 180.2
[M+Na]+ 346.21412 180.3
[M-H]- 322.21762 185.9
[M+NH4]+ 341.25872 190.3
[M+K]+ 362.18806 179.2
[M+H-H2O]+ 306.22216 171.6
[M+HCOO]- 368.22310 194.2
[M+CH3COO]- 382.23875 187.5
[M+Na-2H]- 344.19957 183.1
[M]+ 323.22435 171.8
[M]- 323.22545 171.8
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.