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

15
Patents

273.1365 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 163.3
[M+Na]+ 296.12572 170.4
[M-H]- 272.12922 169.9
[M+NH4]+ 291.17032 179.2
[M+K]+ 312.09966 168.1
[M+H-H2O]+ 256.13376 155.3
[M+HCOO]- 318.13470 187.0
[M+CH3COO]- 332.15035 202.8
[M+Na-2H]- 294.11117 166.2
[M]+ 273.13595 166.2
[M]- 273.13705 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