CID 5593

Tropicamide

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
InChIKey
BGDKAVGWHJFAGW-UHFFFAOYSA-N
Compound name
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

747
References

20808
Patents

284.15247 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 168.1
[M+Na]+ 307.14169 180.0
[M+NH4]+ 302.18629 175.1
[M+K]+ 323.11563 173.6
[M-H]- 283.14519 171.6
[M+Na-2H]- 305.12714 176.2
[M]+ 284.15192 170.6
[M]- 284.15302 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe