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 162.8
[M+Na]+ 286.10967 165.9
[M-H]- 262.11317 168.8
[M+NH4]+ 281.15427 179.3
[M+K]+ 302.08361 164.2
[M+H-H2O]+ 246.11771 153.7
[M+HCOO]- 308.11865 185.1
[M+CH3COO]- 322.13430 213.7
[M+Na-2H]- 284.09512 163.0
[M]+ 263.11990 160.6
[M]- 263.12100 160.6
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.