CID 175361

2,2'-[3-methyl-4-(5-nitrothiazol-2-ylazo)phenylimino]bisethanol

Structural Information

Molecular Formula
C14H17N5O4S
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C14H17N5O4S/c1-10-8-11(18(4-6-20)5-7-21)2-3-12(10)16-17-14-15-9-13(24-14)19(22)23/h2-3,8-9,20-21H,4-7H2,1H3
InChIKey
ZRFKBPGAGIGQON-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

351.10013 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.10741 175.4
[M+Na]+ 374.08935 179.7
[M-H]- 350.09285 182.3
[M+NH4]+ 369.13395 187.8
[M+K]+ 390.06329 172.9
[M+H-H2O]+ 334.09739 170.3
[M+HCOO]- 396.09833 198.7
[M+CH3COO]- 410.11398 213.6
[M+Na-2H]- 372.07480 180.0
[M]+ 351.09958 177.8
[M]- 351.10068 177.8
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

patents stripe