CID 509453

Schembl7483886

Structural Information

Molecular Formula
C19H20N4O2S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCC4CC4
InChI
InChI=1S/C19H20N4O2S/c1-2-25-15-10-9-13-5-3-4-6-14(13)16(15)17(24)21-19-23-22-18(26-19)20-11-12-7-8-12/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,20,22)(H,21,23,24)
InChIKey
RGSHVBDALNJHSS-UHFFFAOYSA-N
Compound name
N-[5-(cyclopropylmethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

368.1307 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13798 179.9
[M+Na]+ 391.11992 189.5
[M-H]- 367.12342 188.7
[M+NH4]+ 386.16452 188.0
[M+K]+ 407.09386 182.4
[M+H-H2O]+ 351.12796 171.7
[M+HCOO]- 413.12890 199.5
[M+CH3COO]- 427.14455 190.1
[M+Na-2H]- 389.10537 183.2
[M]+ 368.13015 187.2
[M]- 368.13125 187.2
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