CID 21156099

73157-50-3

Structural Information

Molecular Formula
C17H15N5O3S
SMILES
C1=CC=C(C=C1)N(CCO)C2=CC=C(C=C2)N=NC3=NC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C17H15N5O3S/c23-11-10-21(14-4-2-1-3-5-14)15-8-6-13(7-9-15)19-20-17-18-12-16(26-17)22(24)25/h1-9,12,23H,10-11H2
InChIKey
ZUJWJIGGBNXZTJ-UHFFFAOYSA-N
Compound name
2-(N-[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]anilino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.08957 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.09685 179.1
[M+Na]+ 392.07879 190.9
[M+NH4]+ 387.12339 186.3
[M+K]+ 408.05273 186.6
[M-H]- 368.08229 187.4
[M+Na-2H]- 390.06424 189.3
[M]+ 369.08902 183.3
[M]- 369.09012 183.3
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.