CID 20628588

Diamine derivative 3

Structural Information

Molecular Formula
C22H26N2
SMILES
CN(C)CCN(CC1=CC=CC=C1)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C22H26N2/c1-23(2)14-15-24(17-19-8-4-3-5-9-19)18-20-12-13-21-10-6-7-11-22(21)16-20/h3-13,16H,14-15,17-18H2,1-2H3
InChIKey
MOXMQBPFKXNWCD-UHFFFAOYSA-N
Compound name
N'-benzyl-N,N-dimethyl-N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

318.2096 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 179.3
[M+Na]+ 341.19882 183.0
[M-H]- 317.20232 188.1
[M+NH4]+ 336.24342 194.6
[M+K]+ 357.17276 179.1
[M+H-H2O]+ 301.20686 169.2
[M+HCOO]- 363.20780 203.5
[M+CH3COO]- 377.22345 221.2
[M+Na-2H]- 339.18427 184.6
[M]+ 318.20905 181.0
[M]- 318.21015 181.0
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