CID 122901

32569-24-7

Structural Information

Molecular Formula
C19H20N6O5S
SMILES
CC(=O)NC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
InChI
InChI=1S/C19H20N6O5S/c1-12(28)20-18-11-13(24(6-8-26)7-9-27)2-5-17(18)21-22-19-15-10-14(25(29)30)3-4-16(15)23-31-19/h2-5,10-11,26-27H,6-9H2,1H3,(H,20,28)
InChIKey
JGQCLEVYGZXEAQ-UHFFFAOYSA-N
Compound name
N-[5-[bis(2-hydroxyethyl)amino]-2-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

444.12158 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.12886 196.5
[M+Na]+ 467.11080 205.2
[M+NH4]+ 462.15540 201.0
[M+K]+ 483.08474 203.2
[M-H]- 443.11430 201.6
[M+Na-2H]- 465.09625 202.0
[M]+ 444.12103 198.9
[M]- 444.12213 198.9
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

patents stripe