CID 509781

Schembl7486276

Structural Information

Molecular Formula
C19H20N4O2S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NC4CCC4
InChI
InChI=1S/C19H20N4O2S/c1-2-25-15-11-10-12-6-3-4-9-14(12)16(15)17(24)21-19-23-22-18(26-19)20-13-7-5-8-13/h3-4,6,9-11,13H,2,5,7-8H2,1H3,(H,20,22)(H,21,23,24)
InChIKey
RWQLBFJPELUBPA-UHFFFAOYSA-N
Compound name
N-[5-(cyclobutylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

368.1307 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13798 180.8
[M+Na]+ 391.11992 185.8
[M-H]- 367.12342 188.3
[M+NH4]+ 386.16452 186.4
[M+K]+ 407.09386 184.0
[M+H-H2O]+ 351.12796 164.9
[M+HCOO]- 413.12890 197.3
[M+CH3COO]- 427.14455 189.8
[M+Na-2H]- 389.10537 182.7
[M]+ 368.13015 192.5
[M]- 368.13125 192.5
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