CID 202450

2-(3-(dimethylamino)propoxy)benzhydrol hydrogen phosphate

Structural Information

Molecular Formula
C18H23NO2
SMILES
CN(C)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O
InChI
InChI=1S/C18H23NO2/c1-19(2)13-8-14-21-17-12-7-6-11-16(17)18(20)15-9-4-3-5-10-15/h3-7,9-12,18,20H,8,13-14H2,1-2H3
InChIKey
QWXQFLSJUCATIJ-UHFFFAOYSA-N
Compound name
[2-[3-(dimethylamino)propoxy]phenyl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 169.4
[M+Na]+ 308.16210 173.6
[M-H]- 284.16560 175.4
[M+NH4]+ 303.20670 184.4
[M+K]+ 324.13604 170.9
[M+H-H2O]+ 268.17014 160.9
[M+HCOO]- 330.17108 191.9
[M+CH3COO]- 344.18673 205.8
[M+Na-2H]- 306.14755 172.5
[M]+ 285.17233 171.1
[M]- 285.17343 171.1
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

No patent data available for this compound.