CID 9589214

N-(aminothioxomethyl)-n-(3-chlorophenyl)-2-(1-methylpropylidene)hydrazinecarboximidamide hcl

Structural Information

Molecular Formula
C12H16ClN5S
SMILES
CC/C(=N/N=C(\N)/N(C1=CC(=CC=C1)Cl)C(=S)N)/C
InChI
InChI=1S/C12H16ClN5S/c1-3-8(2)16-17-11(14)18(12(15)19)10-6-4-5-9(13)7-10/h4-7H,3H2,1-2H3,(H2,14,17)(H2,15,19)/b16-8+
InChIKey
CCQUOSYJARIHCB-LZYBPNLTSA-N
Compound name
1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-(3-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.08148 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08876 169.6
[M+Na]+ 320.07070 176.6
[M+NH4]+ 315.11530 176.4
[M+K]+ 336.04464 169.7
[M-H]- 296.07420 173.5
[M+Na-2H]- 318.05615 174.2
[M]+ 297.08093 171.9
[M]- 297.08203 171.9
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.