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]+ 296.11758 166.8
[M+Na]+ 318.09952 169.8
[M-H]- 294.10302 170.6
[M+NH4]+ 313.14412 180.9
[M+K]+ 334.07346 167.2
[M+H-H2O]+ 278.10756 157.8
[M+HCOO]- 340.10850 188.3
[M+CH3COO]- 354.12415 214.3
[M+Na-2H]- 316.08497 168.1
[M]+ 295.10975 165.6
[M]- 295.11085 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.