CID 206517

Brn 2743794

Structural Information

Molecular Formula
C21H32N2
SMILES
CCCCN(CCN(CC)CC)CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C21H32N2/c1-4-7-15-23(17-16-22(5-2)6-3)18-20-13-10-12-19-11-8-9-14-21(19)20/h8-14H,4-7,15-18H2,1-3H3
InChIKey
DNSNFENGOHKENB-UHFFFAOYSA-N
Compound name
N'-butyl-N,N-diethyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.25656 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.26384 181.9
[M+Na]+ 335.24578 184.8
[M-H]- 311.24928 187.3
[M+NH4]+ 330.29038 198.2
[M+K]+ 351.21972 181.9
[M+H-H2O]+ 295.25382 172.8
[M+HCOO]- 357.25476 205.1
[M+CH3COO]- 371.27041 222.6
[M+Na-2H]- 333.23123 185.1
[M]+ 312.25601 186.0
[M]- 312.25711 186.0
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

No patent data available for this compound.