CID 9574735

[4-[(e)-(carbamothioylhydrazono)methyl]phenyl]carbamic acid

Structural Information

Molecular Formula
C9H10N4O2S
SMILES
C1=CC(=CC=C1/C=N/NC(=S)N)NC(=O)O
InChI
InChI=1S/C9H10N4O2S/c10-8(16)13-11-5-6-1-3-7(4-2-6)12-9(14)15/h1-5,12H,(H,14,15)(H3,10,13,16)/b11-5+
InChIKey
SBYHZWFWLJDUBJ-VZUCSPMQSA-N
Compound name
[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.05244 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05972 149.9
[M+Na]+ 261.04166 154.9
[M-H]- 237.04516 152.9
[M+NH4]+ 256.08626 166.1
[M+K]+ 277.01560 151.4
[M+H-H2O]+ 221.04970 142.2
[M+HCOO]- 283.05064 171.0
[M+CH3COO]- 297.06629 197.3
[M+Na-2H]- 259.02711 152.6
[M]+ 238.05189 147.2
[M]- 238.05299 147.2
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.