CID 9574727

[(z)-(4-amino-3-methoxy-phenyl)methyleneamino]thiourea

Structural Information

Molecular Formula
C9H12N4OS
SMILES
COC1=C(C=CC(=C1)/C=N\NC(=S)N)N
InChI
InChI=1S/C9H12N4OS/c1-14-8-4-6(2-3-7(8)10)5-12-13-9(11)15/h2-5H,10H2,1H3,(H3,11,13,15)/b12-5-
InChIKey
KTFSGYWAABSSTB-XGICHPGQSA-N
Compound name
[(Z)-(4-amino-3-methoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.07318 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08046 147.1
[M+Na]+ 247.06240 153.7
[M-H]- 223.06590 151.3
[M+NH4]+ 242.10700 164.9
[M+K]+ 263.03634 150.2
[M+H-H2O]+ 207.07044 139.5
[M+HCOO]- 269.07138 169.7
[M+CH3COO]- 283.08703 198.7
[M+Na-2H]- 245.04785 149.6
[M]+ 224.07263 145.8
[M]- 224.07373 145.8
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.