CID 9574714

[(z)-[4-(methylamino)phenyl]methyleneamino]thiourea

Structural Information

Molecular Formula
C9H12N4S
SMILES
CNC1=CC=C(C=C1)/C=N\NC(=S)N
InChI
InChI=1S/C9H12N4S/c1-11-8-4-2-7(3-5-8)6-12-13-9(10)14/h2-6,11H,1H3,(H3,10,13,14)/b12-6-
InChIKey
LBJORHYVSARMLG-SDQBBNPISA-N
Compound name
[(Z)-[4-(methylamino)phenyl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.07826 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08554 143.4
[M+Na]+ 231.06748 149.3
[M-H]- 207.07098 147.9
[M+NH4]+ 226.11208 161.9
[M+K]+ 247.04142 145.6
[M+H-H2O]+ 191.07552 135.9
[M+HCOO]- 253.07646 166.5
[M+CH3COO]- 267.09211 195.9
[M+Na-2H]- 229.05293 147.5
[M]+ 208.07771 141.3
[M]- 208.07881 141.3
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.