CID 245750

Nsc57981

Structural Information

Molecular Formula
C17H21NS
SMILES
C1CCC(CC1)NCC2=C(C=CC3=CC=CC=C32)S
InChI
InChI=1S/C17H21NS/c19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-14-7-2-1-3-8-14/h4-6,9-11,14,18-19H,1-3,7-8,12H2
InChIKey
YXKQKQZHQXDFIU-UHFFFAOYSA-N
Compound name
1-[(cyclohexylamino)methyl]naphthalene-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13947 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14675 159.6
[M+Na]+ 294.12869 164.7
[M-H]- 270.13219 166.0
[M+NH4]+ 289.17329 177.1
[M+K]+ 310.10263 159.1
[M+H-H2O]+ 254.13673 152.1
[M+HCOO]- 316.13767 174.6
[M+CH3COO]- 330.15332 170.3
[M+Na-2H]- 292.11414 162.9
[M]+ 271.13892 156.7
[M]- 271.14002 156.7
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.