CID 9589212

N-(aminothioxomethyl)-n-(4-methoxyphenyl)-2-(1-methylpropylidene)hydrazinecarboximidamide hcl

Structural Information

Molecular Formula
C13H19N5OS
SMILES
CC/C(=N/N=C(\N)/N(C1=CC=C(C=C1)OC)C(=S)N)/C
InChI
InChI=1S/C13H19N5OS/c1-4-9(2)16-17-12(14)18(13(15)20)10-5-7-11(19-3)8-6-10/h5-8H,4H2,1-3H3,(H2,14,17)(H2,15,20)/b16-9+
InChIKey
PXSUYIZPEFFVJU-CXUHLZMHSA-N
Compound name
1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13104 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13832 170.5
[M+Na]+ 316.12026 173.9
[M-H]- 292.12376 176.6
[M+NH4]+ 311.16486 186.0
[M+K]+ 332.09420 172.5
[M+H-H2O]+ 276.12830 161.2
[M+HCOO]- 338.12924 192.8
[M+CH3COO]- 352.14489 220.1
[M+Na-2H]- 314.10571 169.7
[M]+ 293.13049 170.5
[M]- 293.13159 170.5
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.