CID 4601

Orphenadrine

Structural Information

Molecular Formula
C18H23NO
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C
InChI
InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
InChIKey
QVYRGXJJSLMXQH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

631
References

12060
Patents

269.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 166.0
[M+Na]+ 292.16720 170.7
[M-H]- 268.17070 173.4
[M+NH4]+ 287.21180 182.4
[M+K]+ 308.14114 168.2
[M+H-H2O]+ 252.17524 157.4
[M+HCOO]- 314.17618 189.7
[M+CH3COO]- 328.19183 206.3
[M+Na-2H]- 290.15265 169.5
[M]+ 269.17743 168.2
[M]- 269.17853 168.2
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