CID 3025393

102586-22-1

Structural Information

Molecular Formula
C19H26N2
SMILES
CCC(CNCC1=CC=CC=C1)(C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C19H26N2/c1-4-19(21(2)3,18-13-9-6-10-14-18)16-20-15-17-11-7-5-8-12-17/h5-14,20H,4,15-16H2,1-3H3
InChIKey
FADAPQOMVQSVOX-UHFFFAOYSA-N
Compound name
1-N-benzyl-2-N,2-N-dimethyl-2-phenylbutane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.2096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 170.2
[M+Na]+ 305.19882 173.4
[M-H]- 281.20232 177.1
[M+NH4]+ 300.24342 185.6
[M+K]+ 321.17276 170.1
[M+H-H2O]+ 265.20686 161.5
[M+HCOO]- 327.20780 193.8
[M+CH3COO]- 341.22345 210.7
[M+Na-2H]- 303.18427 176.2
[M]+ 282.20905 170.3
[M]- 282.21015 170.3
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.