CID 509917

Schembl7481237

Structural Information

Molecular Formula
C18H18N4O2S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NC4CC4
InChI
InChI=1S/C18H18N4O2S/c1-2-24-14-10-7-11-5-3-4-6-13(11)15(14)16(23)20-18-22-21-17(25-18)19-12-8-9-12/h3-7,10,12H,2,8-9H2,1H3,(H,19,21)(H,20,22,23)
InChIKey
MZVQVLNRLVLLDU-UHFFFAOYSA-N
Compound name
N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

354.11505 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12233 176.1
[M+Na]+ 377.10427 186.1
[M-H]- 353.10777 185.0
[M+NH4]+ 372.14887 184.7
[M+K]+ 393.07821 179.2
[M+H-H2O]+ 337.11231 168.0
[M+HCOO]- 399.11325 195.9
[M+CH3COO]- 413.12890 186.7
[M+Na-2H]- 375.08972 179.8
[M]+ 354.11450 183.0
[M]- 354.11560 183.0
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