CID 369655

Nsc641610

Structural Information

Molecular Formula
C16H18ClN7OS
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=NN=C(N)N)C=CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H18ClN7OS/c1-9-14(26-16(20-9)24-21-10(2)25)13(22-23-15(18)19)8-5-11-3-6-12(17)7-4-11/h3-8H,1-2H3,(H,20,24)(H,21,25)(H4,18,19,23)
InChIKey
FCVGFSZCXYXBBM-UHFFFAOYSA-N
Compound name
2-[[1-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-chlorophenyl)prop-2-enylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.0982 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10548 193.6
[M+Na]+ 414.08742 198.6
[M-H]- 390.09092 200.9
[M+NH4]+ 409.13202 205.7
[M+K]+ 430.06136 192.9
[M+H-H2O]+ 374.09546 184.4
[M+HCOO]- 436.09640 212.3
[M+CH3COO]- 450.11205 234.6
[M+Na-2H]- 412.07287 192.2
[M]+ 391.09765 194.1
[M]- 391.09875 194.1
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.