CID 108061

2-(ethyl(3-methyl-4-((5-nitrothiazol-2-yl)azo)phenyl)amino)ethanol

Structural Information

Molecular Formula
C14H17N5O3S
SMILES
CCN(CCO)C1=CC(=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-])C
InChI
InChI=1S/C14H17N5O3S/c1-3-18(6-7-20)11-4-5-12(10(2)8-11)16-17-14-15-9-13(23-14)19(21)22/h4-5,8-9,20H,3,6-7H2,1-2H3
InChIKey
UIHYHADQHHUIOF-UHFFFAOYSA-N
Compound name
2-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

36
References

425
Patents

335.10522 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11250 173.9
[M+Na]+ 358.09444 179.1
[M-H]- 334.09794 182.3
[M+NH4]+ 353.13904 187.8
[M+K]+ 374.06838 172.5
[M+H-H2O]+ 318.10248 168.8
[M+HCOO]- 380.10342 198.5
[M+CH3COO]- 394.11907 214.1
[M+Na-2H]- 356.07989 178.3
[M]+ 335.10467 176.9
[M]- 335.10577 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe