CID 135474297

Hydrazinecarbothioamide, 2-(2-((4-ethoxyphenyl)amino)-2-(hydroxyimino)-1-methylethylidene)-

Structural Information

Molecular Formula
C12H17N5O2S
SMILES
CCOC1=CC=C(C=C1)N=C(/C(=N/NC(=S)N)/C)NO
InChI
InChI=1S/C12H17N5O2S/c1-3-19-10-6-4-9(5-7-10)14-11(17-18)8(2)15-16-12(13)20/h4-7,18H,3H2,1-2H3,(H,14,17)(H3,13,16,20)/b15-8+
InChIKey
DPBBHPPHYKPSKS-OVCLIPMQSA-N
Compound name
[(E)-[1-(4-ethoxyphenyl)imino-1-(hydroxyamino)propan-2-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1103 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.117576 166.8
[M+Na]+ 318.099518 169.8
[M-H]- 294.103024 170.6
[M+NH4]+ 313.144123 180.9
[M+K]+ 334.073458 167.2
[M+H-H2O]+ 278.107560 157.8
[M+HCOO]- 340.108501 188.3
[M+CH3COO]- 354.124151 214.3
[M+Na-2H]- 316.084966 168.1
[M]+ 295.10975142 165.6
[M]- 295.11084858 165.6
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.