CID 199512

1-propanol, 1,1-diphenyl-3-(ethylamino)-

Structural Information

Molecular Formula
C17H21NO
SMILES
CCNCCC(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C17H21NO/c1-2-18-14-13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18-19H,2,13-14H2,1H3
InChIKey
MJQFAUALLQAQFY-UHFFFAOYSA-N
Compound name
3-(ethylamino)-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 160.9
[M+Na]+ 278.15153 165.3
[M-H]- 254.15503 165.4
[M+NH4]+ 273.19613 176.4
[M+K]+ 294.12547 160.6
[M+H-H2O]+ 238.15957 153.3
[M+HCOO]- 300.16051 182.4
[M+CH3COO]- 314.17616 195.8
[M+Na-2H]- 276.13698 167.9
[M]+ 255.16176 159.3
[M]- 255.16286 159.3
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

patents stripe