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-methyl-2-pyridinyl)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]+ 286.112106 163.8
[M+Na]+ 308.094048 170.3
[M-H]- 284.097554 169.0
[M+NH4]+ 303.138653 177.1
[M+K]+ 324.067988 164.6
[M+H-H2O]+ 268.102090 154.0
[M+HCOO]- 330.103031 184.3
[M+CH3COO]- 344.118681 206.7
[M+Na-2H]- 306.079496 169.5
[M]+ 285.10428142 163.9
[M]- 285.10537858 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.