CID 9554709

Nsc162205

Structural Information

Molecular Formula
C14H18N4S
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)/C=N/NC(=S)N
InChI
InChI=1S/C14H18N4S/c15-14(19)17-16-9-10-7-11-3-1-5-18-6-2-4-12(8-10)13(11)18/h7-9H,1-6H2,(H3,15,17,19)/b16-9+
InChIKey
LDVLEKDNPACMEG-CXUHLZMHSA-N
Compound name
[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

274.1252 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13248 158.3
[M+Na]+ 297.11442 167.5
[M+NH4]+ 292.15902 167.5
[M+K]+ 313.08836 158.5
[M-H]- 273.11792 162.2
[M+Na-2H]- 295.09987 162.3
[M]+ 274.12465 160.8
[M]- 274.12575 160.8
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

patents stripe