CID 3785349

763132-95-2

Structural Information

Molecular Formula
C15H17NO3
SMILES
COC1=CC=C(C=C1)NCC2=C(C(=CC=C2)OC)O
InChI
InChI=1S/C15H17NO3/c1-18-13-8-6-12(7-9-13)16-10-11-4-3-5-14(19-2)15(11)17/h3-9,16-17H,10H2,1-2H3
InChIKey
ZLGDBHQXKFQABV-UHFFFAOYSA-N
Compound name
2-methoxy-6-[(4-methoxyanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.12085 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 157.9
[M+Na]+ 282.11007 165.3
[M-H]- 258.11357 163.7
[M+NH4]+ 277.15467 173.9
[M+K]+ 298.08401 162.1
[M+H-H2O]+ 242.11811 150.2
[M+HCOO]- 304.11905 182.1
[M+CH3COO]- 318.13470 197.1
[M+Na-2H]- 280.09552 163.2
[M]+ 259.12030 160.2
[M]- 259.12140 160.2
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