CID 60689

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

Structural Information

Molecular Formula
C23H34N2O2
SMILES
CN(C)C1=CC=C(C=C1)OCCCCCCCOC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C23H34N2O2/c1-24(2)20-10-14-22(15-11-20)26-18-8-6-5-7-9-19-27-23-16-12-21(13-17-23)25(3)4/h10-17H,5-9,18-19H2,1-4H3
InChIKey
JQNBFCDEHGTTSW-UHFFFAOYSA-N
Compound name
4-[7-[4-(dimethylamino)phenoxy]heptoxy]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.26202 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.26930 196.2
[M+Na]+ 393.25124 198.9
[M-H]- 369.25474 204.1
[M+NH4]+ 388.29584 208.9
[M+K]+ 409.22518 196.9
[M+H-H2O]+ 353.25928 185.6
[M+HCOO]- 415.26022 220.8
[M+CH3COO]- 429.27587 231.7
[M+Na-2H]- 391.23669 197.0
[M]+ 370.26147 203.0
[M]- 370.26257 203.0
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