CID 410204

4-[2-[(phenylmethyl)amino]propyl]phenol

Structural Information

Molecular Formula
C16H19NO
SMILES
CC(CC1=CC=C(C=C1)O)NCC2=CC=CC=C2
InChI
InChI=1S/C16H19NO/c1-13(11-14-7-9-16(18)10-8-14)17-12-15-5-3-2-4-6-15/h2-10,13,17-18H,11-12H2,1H3
InChIKey
OUKACZRGSBUQSG-UHFFFAOYSA-N
Compound name
4-[2-(benzylamino)propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.14667 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 158.1
[M+Na]+ 264.13589 171.4
[M+NH4]+ 259.18049 166.9
[M+K]+ 280.10983 163.3
[M-H]- 240.13939 163.2
[M+Na-2H]- 262.12134 167.3
[M]+ 241.14612 161.5
[M]- 241.14722 161.5
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