CID 3052055

Phenethylamine, n-(p-(dimethylamino)benzyl)-, maleate

Structural Information

Molecular Formula
C17H22N2
SMILES
CN(C)C1=CC=C(C=C1)CNCCC2=CC=CC=C2
InChI
InChI=1S/C17H22N2/c1-19(2)17-10-8-16(9-11-17)14-18-13-12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3
InChIKey
CIVSXRZEUHXWGN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(2-phenylethylamino)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

254.1783 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.185576 161.3
[M+Na]+ 277.167518 165.9
[M-H]- 253.171024 168.6
[M+NH4]+ 272.212123 178.1
[M+K]+ 293.141458 162.5
[M+H-H2O]+ 237.175560 152.6
[M+HCOO]- 299.176501 187.2
[M+CH3COO]- 313.192151 205.4
[M+Na-2H]- 275.152966 167.0
[M]+ 254.17775142 161.6
[M]- 254.17884858 161.6
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

patents stripe