CID 109043

61049-89-6

Structural Information

Molecular Formula
C19H21N5O2S
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=NC(=NS2)C3=CC=CC=C3
InChI
InChI=1S/C19H21N5O2S/c1-14-13-16(24(9-11-25)10-12-26)7-8-17(14)21-22-19-20-18(23-27-19)15-5-3-2-4-6-15/h2-8,13,25-26H,9-12H2,1H3
InChIKey
BCWCNVJFJHRIFZ-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

383.1416 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14888 189.2
[M+Na]+ 406.13082 200.5
[M+NH4]+ 401.17542 195.8
[M+K]+ 422.10476 193.4
[M-H]- 382.13432 195.5
[M+Na-2H]- 404.11627 198.2
[M]+ 383.14105 192.9
[M]- 383.14215 192.9
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.