CID 163730

104226-21-3

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=CC=C(C=C2)N
InChI
InChI=1S/C17H22N4O2/c1-13-12-16(21(8-10-22)9-11-23)6-7-17(13)20-19-15-4-2-14(18)3-5-15/h2-7,12,22-23H,8-11,18H2,1H3
InChIKey
YSVKKVUAUKQDBY-UHFFFAOYSA-N
Compound name
2-[4-[(4-aminophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1957
Patents

314.1743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 173.9
[M+Na]+ 337.16352 178.8
[M-H]- 313.16702 181.5
[M+NH4]+ 332.20812 187.7
[M+K]+ 353.13746 176.1
[M+H-H2O]+ 297.17156 164.4
[M+HCOO]- 359.17250 201.8
[M+CH3COO]- 373.18815 220.3
[M+Na-2H]- 335.14897 178.1
[M]+ 314.17375 174.7
[M]- 314.17485 174.7
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