CID 268811

Nsc109253

Structural Information

Molecular Formula
C23H21NS2
SMILES
CN(CC1=C(C=CC2=CC=CC=C21)S)CC3=C(C=CC4=CC=CC=C43)S
InChI
InChI=1S/C23H21NS2/c1-24(14-20-18-8-4-2-6-16(18)10-12-22(20)25)15-21-19-9-5-3-7-17(19)11-13-23(21)26/h2-13,25-26H,14-15H2,1H3
InChIKey
DZCWCXBKEUFDKX-UHFFFAOYSA-N
Compound name
1-[[methyl-[(2-sulfanylnaphthalen-1-yl)methyl]amino]methyl]naphthalene-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.11154 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.11882 183.5
[M+Na]+ 398.10076 193.1
[M-H]- 374.10426 192.7
[M+NH4]+ 393.14536 199.0
[M+K]+ 414.07470 185.4
[M+H-H2O]+ 358.10880 175.1
[M+HCOO]- 420.10974 196.6
[M+CH3COO]- 434.12539 194.3
[M+Na-2H]- 396.08621 187.7
[M]+ 375.11099 189.7
[M]- 375.11209 189.7
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.