CID 60646

4,4'-(pentamethylenedioxy)bis(n,n-dimethylaniline) hydrochloride

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CN(C)C1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C21H30N2O2/c1-22(2)18-8-12-20(13-9-18)24-16-6-5-7-17-25-21-14-10-19(11-15-21)23(3)4/h8-15H,5-7,16-17H2,1-4H3
InChIKey
XXCCJRUSZFHCIO-UHFFFAOYSA-N
Compound name
4-[5-[4-(dimethylamino)phenoxy]pentoxy]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 187.0
[M+Na]+ 365.21996 190.6
[M-H]- 341.22346 195.4
[M+NH4]+ 360.26456 200.9
[M+K]+ 381.19390 189.0
[M+H-H2O]+ 325.22800 176.9
[M+HCOO]- 387.22894 212.3
[M+CH3COO]- 401.24459 225.9
[M+Na-2H]- 363.20541 188.9
[M]+ 342.23019 193.1
[M]- 342.23129 193.1
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