CID 43220319

Monoamine derivative 3

Structural Information

Molecular Formula
C17H21N
SMILES
CC1=C(C=C(C=C1)CNCCC2=CC=CC=C2)C
InChI
InChI=1S/C17H21N/c1-14-8-9-17(12-15(14)2)13-18-11-10-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3
InChIKey
XXTJZYJWHSDDJG-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

239.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.17468 156.9
[M+Na]+ 262.15662 163.4
[M-H]- 238.16012 163.4
[M+NH4]+ 257.20122 174.5
[M+K]+ 278.13056 158.6
[M+H-H2O]+ 222.16466 149.2
[M+HCOO]- 284.16560 181.4
[M+CH3COO]- 298.18125 198.2
[M+Na-2H]- 260.14207 162.4
[M]+ 239.16685 157.2
[M]- 239.16795 157.2
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