CID 77690

4073-98-7

Structural Information

Molecular Formula
C17H22N2
SMILES
CC1=CC(=CC(=C1N)C)CC2=CC(=C(C(=C2)C)N)C
InChI
InChI=1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3
InChIKey
OMHOXRVODFQGCA-UHFFFAOYSA-N
Compound name
4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6872
Patents

254.1783 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.185576 162.7
[M+Na]+ 277.167518 172.0
[M-H]- 253.171024 169.7
[M+NH4]+ 272.212123 180.0
[M+K]+ 293.141458 166.9
[M+H-H2O]+ 237.175560 155.5
[M+HCOO]- 299.176501 186.8
[M+CH3COO]- 313.192151 206.8
[M+Na-2H]- 275.152966 163.3
[M]+ 254.17775142 161.9
[M]- 254.17884858 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