CID 9578994

Nsc671053

Structural Information

Molecular Formula
C10H14N4S
SMILES
CCCNC(=S)N/N=C/C1=CC=CC=N1
InChI
InChI=1S/C10H14N4S/c1-2-6-12-10(15)14-13-8-9-5-3-4-7-11-9/h3-5,7-8H,2,6H2,1H3,(H2,12,14,15)/b13-8+
InChIKey
ROAHISINZZPWTG-MDWZMJQESA-N
Compound name
1-propyl-3-[(E)-pyridin-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.09392 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10120 148.4
[M+Na]+ 245.08314 154.0
[M-H]- 221.08664 151.6
[M+NH4]+ 240.12774 165.6
[M+K]+ 261.05708 150.4
[M+H-H2O]+ 205.09118 140.2
[M+HCOO]- 267.09212 169.8
[M+CH3COO]- 281.10777 195.2
[M+Na-2H]- 243.06859 153.4
[M]+ 222.09337 148.5
[M]- 222.09447 148.5
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.