CID 855075

13159-99-4

Structural Information

Molecular Formula
C16H20N2O
SMILES
CN(C)C1=CC=C(C=C1)CNC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H20N2O/c1-18(2)15-8-4-13(5-9-15)12-17-14-6-10-16(19-3)11-7-14/h4-11,17H,12H2,1-3H3
InChIKey
RDKKBVHEHXPZQH-UHFFFAOYSA-N
Compound name
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

256.15756 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.164836 160.1
[M+Na]+ 279.146778 166.1
[M-H]- 255.150284 168.1
[M+NH4]+ 274.191383 177.1
[M+K]+ 295.120718 163.6
[M+H-H2O]+ 239.154820 151.7
[M+HCOO]- 301.155761 186.6
[M+CH3COO]- 315.171411 205.6
[M+Na-2H]- 277.132226 165.6
[M]+ 256.15701142 161.9
[M]- 256.15810858 161.9
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