CID 14954099

[4-({5-[4-(aminomethyl)phenoxy]pentyl}oxy)phenyl]methanamine

Structural Information

Molecular Formula
C19H26N2O2
SMILES
C1=CC(=CC=C1CN)OCCCCCOC2=CC=C(C=C2)CN
InChI
InChI=1S/C19H26N2O2/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11H,1-3,12-15,20-21H2
InChIKey
WOAXDZXKNMNEBO-UHFFFAOYSA-N
Compound name
[4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

314.19943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.206706 176.6
[M+Na]+ 337.188648 181.0
[M-H]- 313.192154 181.4
[M+NH4]+ 332.233253 189.9
[M+K]+ 353.162588 176.3
[M+H-H2O]+ 297.196690 167.4
[M+HCOO]- 359.197631 200.5
[M+CH3COO]- 373.213281 212.1
[M+Na-2H]- 335.174096 179.3
[M]+ 314.19888142 177.6
[M]- 314.19997858 177.6
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