CID 211180

22593-83-5

Structural Information

Molecular Formula
C26H32N2
SMILES
CC(CC1=CC=C(C=C1)CC(C)NCC2=CC=CC=C2)NCC3=CC=CC=C3
InChI
InChI=1S/C26H32N2/c1-21(27-19-25-9-5-3-6-10-25)17-23-13-15-24(16-14-23)18-22(2)28-20-26-11-7-4-8-12-26/h3-16,21-22,27-28H,17-20H2,1-2H3
InChIKey
TYXBKGIEZYBZMX-UHFFFAOYSA-N
Compound name
N-benzyl-1-[4-[2-(benzylamino)propyl]phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.25656 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.26384 195.1
[M+Na]+ 395.24578 196.2
[M-H]- 371.24928 202.8
[M+NH4]+ 390.29038 205.4
[M+K]+ 411.21972 189.8
[M+H-H2O]+ 355.25382 184.3
[M+HCOO]- 417.25476 216.5
[M+CH3COO]- 431.27041 226.2
[M+Na-2H]- 393.23123 197.0
[M]+ 372.25601 193.2
[M]- 372.25711 193.2
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

No patent data available for this compound.