CID 116713

70865-21-3

Structural Information

Molecular Formula
C15H18ClN5O3S
SMILES
CCN(CC(CCl)O)C1=CC(=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-])C
InChI
InChI=1S/C15H18ClN5O3S/c1-3-20(9-12(22)7-16)11-4-5-13(10(2)6-11)18-19-15-17-8-14(25-15)21(23)24/h4-6,8,12,22H,3,7,9H2,1-2H3
InChIKey
DFLFULOEUOENOW-UHFFFAOYSA-N
Compound name
1-chloro-3-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

383.08188 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.08916 183.8
[M+Na]+ 406.07110 193.9
[M+NH4]+ 401.11570 190.3
[M+K]+ 422.04504 190.5
[M-H]- 382.07460 189.2
[M+Na-2H]- 404.05655 189.7
[M]+ 383.08133 187.1
[M]- 383.08243 187.1
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.