CID 3032463

Usaf ek-7162

Structural Information

Molecular Formula
C13H14N2S
SMILES
CCN(C1=CC=CC2=CC=CC=C21)C(=S)N
InChI
InChI=1S/C13H14N2S/c1-2-15(13(14)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H2,14,16)
InChIKey
KIJJAHDWPAWNGH-UHFFFAOYSA-N
Compound name
1-ethyl-1-naphthalen-1-ylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

42
Patents

230.08777 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.095046 149.4
[M+Na]+ 253.076988 156.2
[M-H]- 229.080494 154.7
[M+NH4]+ 248.121593 168.8
[M+K]+ 269.050928 152.4
[M+H-H2O]+ 213.085030 142.7
[M+HCOO]- 275.085971 168.2
[M+CH3COO]- 289.101621 197.5
[M+Na-2H]- 251.062436 153.3
[M]+ 230.08722142 149.6
[M]- 230.08831858 149.6
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