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 156.6
[M+Na]+ 264.13589 161.7
[M-H]- 240.13939 161.5
[M+NH4]+ 259.18049 172.8
[M+K]+ 280.10983 157.3
[M+H-H2O]+ 224.14393 149.0
[M+HCOO]- 286.14487 179.1
[M+CH3COO]- 300.16052 194.4
[M+Na-2H]- 262.12134 161.6
[M]+ 241.14612 155.0
[M]- 241.14722 155.0
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