CID 3088664

Aniline, 4,4'-(octamethylenedioxy)bis(n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C24H36N2O2
SMILES
CN(C)C1=CC=C(C=C1)OCCCCCCCCOC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C24H36N2O2/c1-25(2)21-11-15-23(16-12-21)27-19-9-7-5-6-8-10-20-28-24-17-13-22(14-18-24)26(3)4/h11-18H,5-10,19-20H2,1-4H3
InChIKey
IXFLXPWTIWZKGZ-UHFFFAOYSA-N
Compound name
4-[8-[4-(dimethylamino)phenoxy]octoxy]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.27768 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.28496 200.7
[M+Na]+ 407.26690 203.0
[M-H]- 383.27040 208.5
[M+NH4]+ 402.31150 212.8
[M+K]+ 423.24084 200.7
[M+H-H2O]+ 367.27494 190.0
[M+HCOO]- 429.27588 225.0
[M+CH3COO]- 443.29153 234.7
[M+Na-2H]- 405.25235 201.0
[M]+ 384.27713 207.8
[M]- 384.27823 207.8
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.