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 209.4
[M+Na]+ 450.08742 217.7
[M-H]- 426.09092 215.0
[M+NH4]+ 445.13202 217.1
[M+K]+ 466.06136 213.1
[M+H-H2O]+ 410.09546 191.2
[M+HCOO]- 472.09640 217.7
[M+CH3COO]- 486.11205 251.6
[M+Na-2H]- 448.07287 205.4
[M]+ 427.09765 205.6
[M]- 427.09875 205.6
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.