CID 113974

63680-01-3

Structural Information

Molecular Formula
C15H19N3S
SMILES
CCN(C1=CC=CC2=CC=CC=C21)C(=N)SCCN
InChI
InChI=1S/C15H19N3S/c1-2-18(15(17)19-11-10-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,2,10-11,16H2,1H3
InChIKey
PFXBXRWEGLIMGA-UHFFFAOYSA-N
Compound name
2-aminoethyl N-ethyl-N-naphthalen-1-ylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.12997 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13725 161.4
[M+Na]+ 296.11919 166.4
[M-H]- 272.12269 166.0
[M+NH4]+ 291.16379 178.7
[M+K]+ 312.09313 162.1
[M+H-H2O]+ 256.12723 153.8
[M+HCOO]- 318.12817 180.5
[M+CH3COO]- 332.14382 207.9
[M+Na-2H]- 294.10464 164.9
[M]+ 273.12942 161.5
[M]- 273.13052 161.5
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.