CID 9571905

Nsc670932

Structural Information

Molecular Formula
C15H17N5S
SMILES
CN(CCC1=CC=CC=N1)C(=S)N/N=C/C2=CC=CC=N2
InChI
InChI=1S/C15H17N5S/c1-20(11-8-13-6-2-4-9-16-13)15(21)19-18-12-14-7-3-5-10-17-14/h2-7,9-10,12H,8,11H2,1H3,(H,19,21)/b18-12+
InChIKey
KQFOTJZIJFADKP-LDADJPATSA-N
Compound name
1-methyl-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

299.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12773 168.4
[M+Na]+ 322.10967 173.6
[M-H]- 298.11317 174.5
[M+NH4]+ 317.15427 181.3
[M+K]+ 338.08361 169.1
[M+H-H2O]+ 282.11771 157.9
[M+HCOO]- 344.11865 189.0
[M+CH3COO]- 358.13430 211.9
[M+Na-2H]- 320.09512 173.6
[M]+ 299.11990 169.7
[M]- 299.12100 169.7
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.