CID 60384

Aniline, 4,4'-(pentamethylenedioxy)bis(n-methyl-, dihydrochloride

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CNC1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)NC
InChI
InChI=1S/C19H26N2O2/c1-20-16-6-10-18(11-7-16)22-14-4-3-5-15-23-19-12-8-17(21-2)9-13-19/h6-13,20-21H,3-5,14-15H2,1-2H3
InChIKey
VNQYBPSCBJKDHT-UHFFFAOYSA-N
Compound name
N-methyl-4-[5-[4-(methylamino)phenoxy]pentoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 175.9
[M+Na]+ 337.18865 180.2
[M-H]- 313.19215 181.8
[M+NH4]+ 332.23325 189.7
[M+K]+ 353.16259 176.2
[M+H-H2O]+ 297.19669 166.6
[M+HCOO]- 359.19763 201.0
[M+CH3COO]- 373.21328 213.3
[M+Na-2H]- 335.17410 180.6
[M]+ 314.19888 178.9
[M]- 314.19998 178.9
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