CID 3001241

219538-24-6

Structural Information

Molecular Formula
C14H13N3OS
SMILES
CCNC1=NN=C(S1)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C14H13N3OS/c1-2-15-14-17-16-13(19-14)11-7-9-5-3-4-6-10(9)8-12(11)18/h3-8,18H,2H2,1H3,(H,15,17)
InChIKey
GDKCODAJDBOADK-UHFFFAOYSA-N
Compound name
3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.07794 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 157.6
[M+Na]+ 294.06716 168.9
[M-H]- 270.07066 162.8
[M+NH4]+ 289.11176 174.5
[M+K]+ 310.04110 162.7
[M+H-H2O]+ 254.07520 150.3
[M+HCOO]- 316.07614 176.4
[M+CH3COO]- 330.09179 170.2
[M+Na-2H]- 292.05261 162.5
[M]+ 271.07739 161.5
[M]- 271.07849 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

literature stripe

Patent stripe

No patent data available for this compound.