CID 6442053

73019-24-6

Structural Information

Molecular Formula
C19H18ClN7OS
SMILES
CC1=NSC(=C1C#N)N=NC2=C(C=C(C=C2)N(CCC#N)C/C=C/Cl)NC(=O)C
InChI
InChI=1S/C19H18ClN7OS/c1-13-16(12-22)19(29-26-13)25-24-17-6-5-15(11-18(17)23-14(2)28)27(9-3-7-20)10-4-8-21/h3,5-7,11H,4,9-10H2,1-2H3,(H,23,28)/b7-3+,25-24?
InChIKey
UBXBMURPXHEFSZ-GEMAAQNMSA-N
Compound name
N-[5-[[(E)-3-chloroprop-2-enyl]-(2-cyanoethyl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.0982 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.10548 206.1
[M+Na]+ 450.08742 212.6
[M+NH4]+ 445.13202 205.3
[M+K]+ 466.06136 201.5
[M-H]- 426.09092 198.0
[M+Na-2H]- 448.07287 204.8
[M]+ 427.09765 203.8
[M]- 427.09875 203.8
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.