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]+ 382.133226 186.4
[M+Na]+ 404.115168 193.3
[M-H]- 380.118674 197.6
[M+NH4]+ 399.159773 197.5
[M+K]+ 420.089108 189.6
[M+H-H2O]+ 364.123210 176.1
[M+HCOO]- 426.124151 205.6
[M+CH3COO]- 440.139801 196.7
[M+Na-2H]- 402.100616 190.6
[M]+ 381.12540142 188.8
[M]- 381.12649858 188.8
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

No patent data available for this compound.