CID 22952203

(2,4-dimethoxyphenyl)(4-methoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C16H19NO3
SMILES
COC1=CC=C(C=C1)C(C2=C(C=C(C=C2)OC)OC)N
InChI
InChI=1S/C16H19NO3/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3/h4-10,16H,17H2,1-3H3
InChIKey
BLECVMLKEBWWJQ-UHFFFAOYSA-N
Compound name
(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

273.1365 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.143776 163.3
[M+Na]+ 296.125718 170.4
[M-H]- 272.129224 169.9
[M+NH4]+ 291.170323 179.2
[M+K]+ 312.099658 168.1
[M+H-H2O]+ 256.133760 155.3
[M+HCOO]- 318.134701 187.0
[M+CH3COO]- 332.150351 202.8
[M+Na-2H]- 294.111166 166.2
[M]+ 273.13595142 166.2
[M]- 273.13704858 166.2
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