CID 3063241

100196-37-0

Structural Information

Molecular Formula
C18H24N2
SMILES
CN(C)CCCN(CC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H24N2/c1-19(2)14-9-15-20(18-12-7-4-8-13-18)16-17-10-5-3-6-11-17/h3-8,10-13H,9,14-16H2,1-2H3
InChIKey
VADJDLMUBPSINX-UHFFFAOYSA-N
Compound name
N'-benzyl-N,N-dimethyl-N'-phenylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.19394 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 166.6
[M+Na]+ 291.183158 169.9
[M-H]- 267.186664 174.8
[M+NH4]+ 286.227763 183.0
[M+K]+ 307.157098 167.7
[M+H-H2O]+ 251.191200 157.2
[M+HCOO]- 313.192141 192.5
[M+CH3COO]- 327.207791 210.7
[M+Na-2H]- 289.168606 171.6
[M]+ 268.19339142 168.0
[M]- 268.19448858 168.0
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