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 180.2
[M+Na]+ 392.07879 184.4
[M-H]- 368.08229 191.3
[M+NH4]+ 387.12339 191.9
[M+K]+ 408.05273 176.7
[M+H-H2O]+ 352.08683 173.9
[M+HCOO]- 414.08777 205.3
[M+CH3COO]- 428.10342 217.8
[M+Na-2H]- 390.06424 186.6
[M]+ 369.08902 181.4
[M]- 369.09012 181.4
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.