CID 13751

Phenbenzamine

Structural Information

Molecular Formula
C17H22N2
SMILES
CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H22N2/c1-18(2)13-14-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3
InChIKey
CHOBRHHOYQKCOU-UHFFFAOYSA-N
Compound name
N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2272
References

484
Patents

254.1783 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 161.9
[M+Na]+ 277.16752 165.7
[M-H]- 253.17102 170.3
[M+NH4]+ 272.21212 179.0
[M+K]+ 293.14146 163.7
[M+H-H2O]+ 237.17556 152.8
[M+HCOO]- 299.17650 188.2
[M+CH3COO]- 313.19215 207.7
[M+Na-2H]- 275.15297 167.5
[M]+ 254.17775 163.1
[M]- 254.17885 163.1
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