CID 59711

102813-41-2

Structural Information

Molecular Formula
C23H34N2O2
SMILES
CCN(CC)CCNC1=CC=C(C=C1)OCCCCCOC2=CC=CC=C2
InChI
InChI=1S/C23H34N2O2/c1-3-25(4-2)18-17-24-21-13-15-23(16-14-21)27-20-10-6-9-19-26-22-11-7-5-8-12-22/h5,7-8,11-16,24H,3-4,6,9-10,17-20H2,1-2H3
InChIKey
ZFPNLCPKGYUBDL-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[4-(5-phenoxypentoxy)phenyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.26202 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.269296 194.7
[M+Na]+ 393.251238 196.4
[M-H]- 369.254744 200.8
[M+NH4]+ 388.295843 206.4
[M+K]+ 409.225178 192.8
[M+H-H2O]+ 353.259280 184.1
[M+HCOO]- 415.260221 218.9
[M+CH3COO]- 429.275871 227.2
[M+Na-2H]- 391.236686 197.2
[M]+ 370.26147142 199.8
[M]- 370.26256858 199.8
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.