CID 9571919

Nsc671048

Structural Information

Molecular Formula
C15H17N5S
SMILES
CC1=NC(=CC=C1)/C=N/NC(=S)NCCC2=CC=CC=N2
InChI
InChI=1S/C15H17N5S/c1-12-5-4-7-14(19-12)11-18-20-15(21)17-10-8-13-6-2-3-9-16-13/h2-7,9,11H,8,10H2,1H3,(H2,17,20,21)/b18-11+
InChIKey
FKJDNGUHRIOLQT-WOJGMQOQSA-N
Compound name
1-[(E)-(6-methylpyridin-2-yl)methylideneamino]-3-(2-pyridin-2-ylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12773 168.0
[M+Na]+ 322.10967 174.0
[M-H]- 298.11317 173.0
[M+NH4]+ 317.15427 180.6
[M+K]+ 338.08361 168.1
[M+H-H2O]+ 282.11771 158.0
[M+HCOO]- 344.11865 188.2
[M+CH3COO]- 358.13430 209.7
[M+Na-2H]- 320.09512 173.2
[M]+ 299.11990 168.4
[M]- 299.12100 168.4
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.