CID 9589250

N-(aminothioxomethyl)-2-(1-methylpropylidene)-n-phenylhydrazinecarboximidamide hcl

Structural Information

Molecular Formula
C12H17N5S
SMILES
CC/C(=N/N=C(\N)/N(C1=CC=CC=C1)C(=S)N)/C
InChI
InChI=1S/C12H17N5S/c1-3-9(2)15-16-11(13)17(12(14)18)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,13,16)(H2,14,18)/b15-9+
InChIKey
YIMMEVVHFSXDMU-OQLLNIDSSA-N
Compound name
1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12773 162.1
[M+Na]+ 286.10967 168.0
[M+NH4]+ 281.15427 168.8
[M+K]+ 302.08361 161.9
[M-H]- 262.11317 166.1
[M+Na-2H]- 284.09512 167.0
[M]+ 263.11990 163.9
[M]- 263.12100 163.9
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.