CID 10334137

Dp44mt

Structural Information

Molecular Formula
C14H15N5S
SMILES
CN(C)C(=S)NN=C(C1=CC=CC=N1)C2=CC=CC=N2
InChI
InChI=1S/C14H15N5S/c1-19(2)14(20)18-17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12/h3-10H,1-2H3,(H,18,20)
InChIKey
XOBIGRNRXCAMJQ-UHFFFAOYSA-N
Compound name
3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

96
References

178
Patents

285.10483 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11211 164.7
[M+Na]+ 308.09405 170.0
[M-H]- 284.09755 171.2
[M+NH4]+ 303.13865 178.2
[M+K]+ 324.06799 166.4
[M+H-H2O]+ 268.10209 154.6
[M+HCOO]- 330.10303 184.7
[M+CH3COO]- 344.11868 209.8
[M+Na-2H]- 306.07950 169.4
[M]+ 285.10428 165.1
[M]- 285.10538 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe