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

168
Patents

254.1783 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 161.4
[M+Na]+ 277.16752 165.1
[M-H]- 253.17102 167.8
[M+NH4]+ 272.21212 177.6
[M+K]+ 293.14146 161.3
[M+H-H2O]+ 237.17556 152.6
[M+HCOO]- 299.17650 186.7
[M+CH3COO]- 313.19215 203.6
[M+Na-2H]- 275.15297 166.8
[M]+ 254.17775 160.3
[M]- 254.17885 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