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]+ 371.26930 196.4
[M+Na]+ 393.25124 207.5
[M+NH4]+ 388.29584 203.5
[M+K]+ 409.22518 198.0
[M-H]- 369.25474 201.9
[M+Na-2H]- 391.23669 204.0
[M]+ 370.26147 199.5
[M]- 370.26257 199.5
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.