CID 21991

O-cresol, alpha,alpha'-(trimethylenenitrilo)bis(6-methoxy-

Structural Information

Molecular Formula
C19H22N2O4
SMILES
COC1=CC=CC(=C1O)CN=CCC=NCC2=C(C(=CC=C2)OC)O
InChI
InChI=1S/C19H22N2O4/c1-24-16-8-3-6-14(18(16)22)12-20-10-5-11-21-13-15-7-4-9-17(25-2)19(15)23/h3-4,6-11,22-23H,5,12-13H2,1-2H3
InChIKey
AZZAALUJYLNNGA-UHFFFAOYSA-N
Compound name
2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.165236 180.6
[M+Na]+ 365.147178 187.1
[M-H]- 341.150684 187.4
[M+NH4]+ 360.191783 193.7
[M+K]+ 381.121118 183.5
[M+H-H2O]+ 325.155220 171.4
[M+HCOO]- 387.156161 206.4
[M+CH3COO]- 401.171811 217.3
[M+Na-2H]- 363.132626 184.0
[M]+ 342.15741142 185.6
[M]- 342.15850858 185.6
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

No patent data available for this compound.