CID 118536027

25d-nbome

Structural Information

Molecular Formula
C19H25NO3
SMILES
CC1=CC(=C(C=C1OC)CCNCC2=CC=CC=C2OC)OC
InChI
InChI=1S/C19H25NO3/c1-14-11-19(23-4)15(12-18(14)22-3)9-10-20-13-16-7-5-6-8-17(16)21-2/h5-8,11-12,20H,9-10,13H2,1-4H3
InChIKey
UTVHBNXCFSATDB-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxy-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

315.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 176.1
[M+Na]+ 338.17266 183.0
[M-H]- 314.17616 182.9
[M+NH4]+ 333.21726 190.8
[M+K]+ 354.14660 179.8
[M+H-H2O]+ 298.18070 167.4
[M+HCOO]- 360.18164 200.3
[M+CH3COO]- 374.19729 212.7
[M+Na-2H]- 336.15811 178.9
[M]+ 315.18289 182.0
[M]- 315.18399 182.0
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