CID 106116

Einecs 267-727-5

Structural Information

Molecular Formula
C16H19N3O3
SMILES
CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)OCCO)OC)N
InChI
InChI=1S/C16H19N3O3/c1-11-9-14(17)16(21-2)10-15(11)19-18-12-3-5-13(6-4-12)22-8-7-20/h3-6,9-10,20H,7-8,17H2,1-2H3
InChIKey
DUTCAVFIKKTLQP-UHFFFAOYSA-N
Compound name
2-[4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

301.14264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 169.0
[M+Na]+ 324.13186 176.3
[M-H]- 300.13536 177.2
[M+NH4]+ 319.17646 184.0
[M+K]+ 340.10580 173.8
[M+H-H2O]+ 284.13990 159.9
[M+HCOO]- 346.14084 197.4
[M+CH3COO]- 360.15649 214.6
[M+Na-2H]- 322.11731 173.8
[M]+ 301.14209 172.6
[M]- 301.14319 172.6
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

patents stripe