CID 9579514

Chembl113466

Structural Information

Molecular Formula
C14H16N6S
SMILES
CC1=NN=C(C=C1)/C(=N/NC(=S)NCC2=CC=CC=N2)/C
InChI
InChI=1S/C14H16N6S/c1-10-6-7-13(19-17-10)11(2)18-20-14(21)16-9-12-5-3-4-8-15-12/h3-8H,9H2,1-2H3,(H2,16,20,21)/b18-11+
InChIKey
FASJSAQXCLCYBA-WOJGMQOQSA-N
Compound name
1-[(E)-1-(6-methylpyridazin-3-yl)ethylideneamino]-3-(pyridin-2-ylmethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.11572 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12300 168.4
[M+Na]+ 323.10494 174.6
[M-H]- 299.10844 172.4
[M+NH4]+ 318.14954 179.6
[M+K]+ 339.07888 169.1
[M+H-H2O]+ 283.11298 158.1
[M+HCOO]- 345.11392 186.6
[M+CH3COO]- 359.12957 210.4
[M+Na-2H]- 321.09039 173.2
[M]+ 300.11517 168.4
[M]- 300.11627 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.