CID 112153

Disperse blue 102

Structural Information

Molecular Formula
C15H19N5O4S
SMILES
CCN(CC(CO)O)C1=CC(=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-])C
InChI
InChI=1S/C15H19N5O4S/c1-3-19(8-12(22)9-21)11-4-5-13(10(2)6-11)17-18-15-16-7-14(25-15)20(23)24/h4-7,12,21-22H,3,8-9H2,1-2H3
InChIKey
COCWIIAFGQLMGS-UHFFFAOYSA-N
Compound name
3-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

168
Patents

365.11578 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12306 179.8
[M+Na]+ 388.10500 188.0
[M+NH4]+ 383.14960 185.1
[M+K]+ 404.07894 186.5
[M-H]- 364.10850 184.1
[M+Na-2H]- 386.09045 184.8
[M]+ 365.11523 182.0
[M]- 365.11633 182.0
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