CID 105279

66104-63-0

Structural Information

Molecular Formula
C19H19N5O2S
SMILES
CC(=O)NC1=CC2=C(C=C1)N=C(S2)N=NC3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C19H19N5O2S/c1-13(25)20-15-4-7-17-18(12-15)27-19(21-17)23-22-14-2-5-16(6-3-14)24-8-10-26-11-9-24/h2-7,12H,8-11H2,1H3,(H,20,25)
InChIKey
HQNYFWNGSCEBNY-UHFFFAOYSA-N
Compound name
N-[2-[(4-morpholin-4-ylphenyl)diazenyl]-1,3-benzothiazol-6-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.12595 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.13323 186.0
[M+Na]+ 404.11517 198.5
[M+NH4]+ 399.15977 193.7
[M+K]+ 420.08911 191.2
[M-H]- 380.11867 194.5
[M+Na-2H]- 402.10062 194.6
[M]+ 381.12540 190.5
[M]- 381.12650 190.5
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.