CID 28397

Dimepheptanol

Structural Information

Molecular Formula
C21H29NO
SMILES
CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3
InChIKey
QIRAYNIFEOXSPW-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-4,4-diphenylheptan-3-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

417
References

7999
Patents

311.2249 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 179.0
[M+Na]+ 334.21412 181.2
[M-H]- 310.21762 184.4
[M+NH4]+ 329.25872 192.7
[M+K]+ 350.18806 178.2
[M+H-H2O]+ 294.22216 170.8
[M+HCOO]- 356.22310 197.6
[M+CH3COO]- 370.23875 212.8
[M+Na-2H]- 332.19957 180.8
[M]+ 311.22435 178.9
[M]- 311.22545 178.9
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.