CID 135750093

2-(2-(hydroxyamino)-1-methyl-2-((4-methylphenyl)imino)ethylidene)hydrazinecarbothioamide

Structural Information

Molecular Formula
C11H15N5OS
SMILES
CC1=CC=C(C=C1)N=C(/C(=N/NC(=S)N)/C)NO
InChI
InChI=1S/C11H15N5OS/c1-7-3-5-9(6-4-7)13-10(16-17)8(2)14-15-11(12)18/h3-6,17H,1-2H3,(H,13,16)(H3,12,15,18)/b14-8+
InChIKey
MNKRZYDXZNRMIK-RIYZIHGNSA-N
Compound name
[(E)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09973 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10701 160.0
[M+Na]+ 288.08895 163.7
[M-H]- 264.09245 164.0
[M+NH4]+ 283.13355 175.5
[M+K]+ 304.06289 160.7
[M+H-H2O]+ 248.09699 151.5
[M+HCOO]- 310.09793 181.6
[M+CH3COO]- 324.11358 209.1
[M+Na-2H]- 286.07440 161.5
[M]+ 265.09918 157.1
[M]- 265.10028 157.1
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.