CID 9571904

Nsc670931

Structural Information

Molecular Formula
C14H15N5S
SMILES
C1=CC=NC(=C1)CCNC(=S)N/N=C/C2=CC=CC=N2
InChI
InChI=1S/C14H15N5S/c20-14(17-10-7-12-5-1-3-8-15-12)19-18-11-13-6-2-4-9-16-13/h1-6,8-9,11H,7,10H2,(H2,17,19,20)/b18-11+
InChIKey
YDGUQTMRXAWNNJ-WOJGMQOQSA-N
Compound name
1-(2-pyridin-2-ylethyl)-3-[(E)-pyridin-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.10483 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.112106 162.7
[M+Na]+ 308.094048 168.3
[M-H]- 284.097554 167.5
[M+NH4]+ 303.138653 175.6
[M+K]+ 324.067988 162.6
[M+H-H2O]+ 268.102090 152.7
[M+HCOO]- 330.103031 183.3
[M+CH3COO]- 344.118681 205.6
[M+Na-2H]- 306.079496 169.2
[M]+ 285.10428142 162.4
[M]- 285.10537858 162.4
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.