CID 88696

Bis(2,4-dimethoxybenzyl)amine

Structural Information

Molecular Formula
C18H23NO4
SMILES
COC1=CC(=C(C=C1)CNCC2=C(C=C(C=C2)OC)OC)OC
InChI
InChI=1S/C18H23NO4/c1-20-15-7-5-13(17(9-15)22-3)11-19-12-14-6-8-16(21-2)10-18(14)23-4/h5-10,19H,11-12H2,1-4H3
InChIKey
IZWMZVDEYOKQCG-UHFFFAOYSA-N
Compound name
1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

486
Patents

317.16272 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 174.4
[M+Na]+ 340.15194 181.6
[M-H]- 316.15544 181.3
[M+NH4]+ 335.19654 188.9
[M+K]+ 356.12588 179.3
[M+H-H2O]+ 300.15998 165.6
[M+HCOO]- 362.16092 199.2
[M+CH3COO]- 376.17657 211.8
[M+Na-2H]- 338.13739 177.8
[M]+ 317.16217 181.4
[M]- 317.16327 181.4
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