CID 5369910

Happtsc

Structural Information

Molecular Formula
C14H14N4S
SMILES
C/C(=N\NC(=S)NC1=CC=CC=C1)/C2=CC=CC=N2
InChI
InChI=1S/C14H14N4S/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,18,19)/b17-11+
InChIKey
VHVSCHSQNUUXNS-GZTJUZNOSA-N
Compound name
1-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

2
Patents

270.0939 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10118 160.1
[M+Na]+ 293.08312 165.2
[M-H]- 269.08662 166.4
[M+NH4]+ 288.12772 174.9
[M+K]+ 309.05706 160.4
[M+H-H2O]+ 253.09116 151.0
[M+HCOO]- 315.09210 180.9
[M+CH3COO]- 329.10775 203.7
[M+Na-2H]- 291.06857 165.2
[M]+ 270.09335 158.7
[M]- 270.09445 158.7
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.