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]+ 315.20671 176.6
[M+Na]+ 337.18865 181.0
[M-H]- 313.19215 181.4
[M+NH4]+ 332.23325 189.9
[M+K]+ 353.16259 176.3
[M+H-H2O]+ 297.19669 167.4
[M+HCOO]- 359.19763 200.5
[M+CH3COO]- 373.21328 212.1
[M+Na-2H]- 335.17410 179.3
[M]+ 314.19888 177.6
[M]- 314.19998 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