CID 5060491

73351-21-0

Structural Information

Molecular Formula
C14H15NO2
SMILES
COC1=CC=C(C=C1)NCC2=CC=C(C=C2)O
InChI
InChI=1S/C14H15NO2/c1-17-14-8-4-12(5-9-14)15-10-11-2-6-13(16)7-3-11/h2-9,15-16H,10H2,1H3
InChIKey
UVAUEVSLJSRJCQ-UHFFFAOYSA-N
Compound name
4-[(4-methoxyanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

229.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.117556 150.2
[M+Na]+ 252.099498 157.3
[M-H]- 228.103004 155.8
[M+NH4]+ 247.144103 167.2
[M+K]+ 268.073438 153.5
[M+H-H2O]+ 212.107540 142.8
[M+HCOO]- 274.108481 174.5
[M+CH3COO]- 288.124131 190.7
[M+Na-2H]- 250.084946 156.8
[M]+ 229.10973142 150.3
[M]- 229.11082858 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe