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

3
Patents

270.0939 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.101176 160.1
[M+Na]+ 293.083118 165.2
[M-H]- 269.086624 166.4
[M+NH4]+ 288.127723 174.9
[M+K]+ 309.057058 160.4
[M+H-H2O]+ 253.091160 151.0
[M+HCOO]- 315.092101 180.9
[M+CH3COO]- 329.107751 203.7
[M+Na-2H]- 291.068566 165.2
[M]+ 270.09335142 158.7
[M]- 270.09444858 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

literature stripe

Patent stripe

patents stripe