CID 3002012

1-methyl-3-(4-phenylazophenyl)thiourea

Structural Information

Molecular Formula
C14H14N4S
SMILES
CNC(=S)NC1=CC=C(C=C1)N=NC2=CC=CC=C2
InChI
InChI=1S/C14H14N4S/c1-15-14(19)16-11-7-9-13(10-8-11)18-17-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,19)
InChIKey
NXSAIVQOQXPCJY-UHFFFAOYSA-N
Compound name
1-methyl-3-(4-phenyldiazenylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0939 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.101176 159.3
[M+Na]+ 293.083118 165.1
[M-H]- 269.086624 168.5
[M+NH4]+ 288.127723 176.0
[M+K]+ 309.057058 160.8
[M+H-H2O]+ 253.091160 150.2
[M+HCOO]- 315.092101 184.6
[M+CH3COO]- 329.107751 208.9
[M+Na-2H]- 291.068566 165.5
[M]+ 270.09335142 159.5
[M]- 270.09444858 159.5
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.