CID 105525

67674-25-3

Structural Information

Molecular Formula
C17H20N4O4
SMILES
CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])N(CCO)CCO
InChI
InChI=1S/C17H20N4O4/c1-13-12-15(4-7-17(13)20(8-10-22)9-11-23)19-18-14-2-5-16(6-3-14)21(24)25/h2-7,12,22-23H,8-11H2,1H3
InChIKey
PBUKNKCXMIEGOO-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-2-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14847 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.155746 177.8
[M+Na]+ 367.137688 181.3
[M-H]- 343.141194 185.5
[M+NH4]+ 362.182293 189.5
[M+K]+ 383.111628 175.3
[M+H-H2O]+ 327.145730 172.4
[M+HCOO]- 389.146671 205.9
[M+CH3COO]- 403.162321 216.6
[M+Na-2H]- 365.123136 184.0
[M]+ 344.14792142 178.6
[M]- 344.14901858 178.6
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.