CID 11436748

(3-aminopropyl)dibenzylamine

Structural Information

Molecular Formula
C17H22N2
SMILES
C1=CC=C(C=C1)CN(CCCN)CC2=CC=CC=C2
InChI
InChI=1S/C17H22N2/c18-12-7-13-19(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15,18H2
InChIKey
KXBUDXGDASOGBX-UHFFFAOYSA-N
Compound name
N',N'-dibenzylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

254.1783 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.185576 161.4
[M+Na]+ 277.167518 165.1
[M-H]- 253.171024 167.8
[M+NH4]+ 272.212123 177.6
[M+K]+ 293.141458 161.3
[M+H-H2O]+ 237.175560 152.6
[M+HCOO]- 299.176501 186.7
[M+CH3COO]- 313.192151 203.6
[M+Na-2H]- 275.152966 166.8
[M]+ 254.17775142 160.3
[M]- 254.17884858 160.3
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

patents stripe