CID 293369

N-(3-chloro-p-tolyl)-2,3-dimethoxybenzylamine

Structural Information

Molecular Formula
C16H18ClNO2
SMILES
CC1=C(C=C(C=C1)NCC2=C(C(=CC=C2)OC)OC)Cl
InChI
InChI=1S/C16H18ClNO2/c1-11-7-8-13(9-14(11)17)18-10-12-5-4-6-15(19-2)16(12)20-3/h4-9,18H,10H2,1-3H3
InChIKey
BAQAIKMAMCQPFK-UHFFFAOYSA-N
Compound name
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

291.1026 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.109876 165.9
[M+Na]+ 314.091818 175.2
[M-H]- 290.095324 173.1
[M+NH4]+ 309.136423 182.7
[M+K]+ 330.065758 170.2
[M+H-H2O]+ 274.099860 159.0
[M+HCOO]- 336.100801 186.5
[M+CH3COO]- 350.116451 205.3
[M+Na-2H]- 312.077266 169.8
[M]+ 291.10205142 171.6
[M]- 291.10314858 171.6
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

No patent data available for this compound.