CID 15165210

76213-94-0

Structural Information

Molecular Formula
C23H25ClN6OS
SMILES
CCCCCN(CCC#N)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)Cl)NC(=O)C
InChI
InChI=1S/C23H25ClN6OS/c1-3-4-5-12-30(13-6-11-25)18-8-10-19(21(15-18)26-16(2)31)28-29-23-27-20-9-7-17(24)14-22(20)32-23/h7-10,14-15H,3-6,12-13H2,1-2H3,(H,26,31)
InChIKey
HMQPYUOIUSLRKH-UHFFFAOYSA-N
Compound name
N-[2-[(6-chloro-1,3-benzothiazol-2-yl)diazenyl]-5-[2-cyanoethyl(pentyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.1499 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.157176 222.1
[M+Na]+ 491.139118 231.2
[M-H]- 467.142624 229.7
[M+NH4]+ 486.183723 232.5
[M+K]+ 507.113058 223.9
[M+H-H2O]+ 451.147160 205.6
[M+HCOO]- 513.148101 236.9
[M+CH3COO]- 527.163751 254.1
[M+Na-2H]- 489.124566 221.4
[M]+ 468.14935142 226.2
[M]- 468.15044858 226.2
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.