CID 16729017

1-hydroxy-3-[(e)-1-(2-nitrophenyl)ethylideneamino]thiourea

Structural Information

Molecular Formula
C9H10N4O3S
SMILES
C/C(=N\NC(=S)NO)/C1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O3S/c1-6(10-11-9(17)12-14)7-4-2-3-5-8(7)13(15)16/h2-5,14H,1H3,(H2,11,12,17)/b10-6+
InChIKey
KGMPFRVQSDRANN-UXBLZVDNSA-N
Compound name
1-hydroxy-3-[(E)-1-(2-nitrophenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.04736 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05464 149.4
[M+Na]+ 277.03658 153.3
[M-H]- 253.04008 152.6
[M+NH4]+ 272.08118 164.4
[M+K]+ 293.01052 146.3
[M+H-H2O]+ 237.04462 146.2
[M+HCOO]- 299.04556 170.7
[M+CH3COO]- 313.06121 191.7
[M+Na-2H]- 275.02203 154.4
[M]+ 254.04681 145.9
[M]- 254.04791 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.