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]+ 271.10118 159.3
[M+Na]+ 293.08312 165.1
[M-H]- 269.08662 168.5
[M+NH4]+ 288.12772 176.0
[M+K]+ 309.05706 160.8
[M+H-H2O]+ 253.09116 150.2
[M+HCOO]- 315.09210 184.6
[M+CH3COO]- 329.10775 208.9
[M+Na-2H]- 291.06857 165.5
[M]+ 270.09335 159.5
[M]- 270.09445 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.