CID 9571918

Nsc671047

Structural Information

Molecular Formula
C14H15N5S
SMILES
CC1=NC(=CC=C1)/C=N/NC(=S)NCC2=CC=CC=N2
InChI
InChI=1S/C14H15N5S/c1-11-5-4-7-13(18-11)10-17-19-14(20)16-9-12-6-2-3-8-15-12/h2-8,10H,9H2,1H3,(H2,16,19,20)/b17-10+
InChIKey
CHESFSICKVAAIE-LICLKQGHSA-N
Compound name
1-[(E)-(6-methylpyridin-2-yl)methylideneamino]-3-(pyridin-2-ylmethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.10483 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11211 163.8
[M+Na]+ 308.09405 170.3
[M-H]- 284.09755 169.0
[M+NH4]+ 303.13865 177.1
[M+K]+ 324.06799 164.6
[M+H-H2O]+ 268.10209 154.0
[M+HCOO]- 330.10303 184.3
[M+CH3COO]- 344.11868 206.7
[M+Na-2H]- 306.07950 169.5
[M]+ 285.10428 163.9
[M]- 285.10538 163.9
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.