CID 151498

10239-34-6

Structural Information

Molecular Formula
C17H22N2
SMILES
C1=CC=C(C=C1)CNCCCNCC2=CC=CC=C2
InChI
InChI=1S/C17H22N2/c1-3-8-16(9-4-1)14-18-12-7-13-19-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2
InChIKey
RXLUOFXICZSZIB-UHFFFAOYSA-N
Compound name
N,N'-dibenzylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

102
Patents

254.1783 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.185576 159.6
[M+Na]+ 277.167518 163.2
[M-H]- 253.171024 165.1
[M+NH4]+ 272.212123 175.4
[M+K]+ 293.141458 158.3
[M+H-H2O]+ 237.175560 151.0
[M+HCOO]- 299.176501 185.0
[M+CH3COO]- 313.192151 200.9
[M+Na-2H]- 275.152966 167.0
[M]+ 254.17775142 158.3
[M]- 254.17884858 158.3
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