CID 9554743

Nsc635451

Structural Information

Molecular Formula
C13H20N4S
SMILES
CCCN(CCC)C(=S)N/N=C/C1=CC=CC=N1
InChI
InChI=1S/C13H20N4S/c1-3-9-17(10-4-2)13(18)16-15-11-12-7-5-6-8-14-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18)/b15-11+
InChIKey
ARFYQGPGBDRRSP-RVDMUPIBSA-N
Compound name
1,1-dipropyl-3-[(E)-pyridin-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.14087 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14815 162.6
[M+Na]+ 287.13009 167.0
[M-H]- 263.13359 166.8
[M+NH4]+ 282.17469 178.7
[M+K]+ 303.10403 164.1
[M+H-H2O]+ 247.13813 153.5
[M+HCOO]- 309.13907 183.4
[M+CH3COO]- 323.15472 207.6
[M+Na-2H]- 285.11554 165.4
[M]+ 264.14032 165.1
[M]- 264.14142 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.