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]+ 343.16524 180.6
[M+Na]+ 365.14718 187.1
[M-H]- 341.15068 187.4
[M+NH4]+ 360.19178 193.7
[M+K]+ 381.12112 183.5
[M+H-H2O]+ 325.15522 171.4
[M+HCOO]- 387.15616 206.4
[M+CH3COO]- 401.17181 217.3
[M+Na-2H]- 363.13263 184.0
[M]+ 342.15741 185.6
[M]- 342.15851 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.