CID 510263

Schembl7488942

Structural Information

Molecular Formula
C20H22N4O3S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCC4CCCO4
InChI
InChI=1S/C20H22N4O3S/c1-2-26-16-10-9-13-6-3-4-8-15(13)17(16)18(25)22-20-24-23-19(28-20)21-12-14-7-5-11-27-14/h3-4,6,8-10,14H,2,5,7,11-12H2,1H3,(H,21,23)(H,22,24,25)
InChIKey
AFTCMYJSMQCBCQ-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

398.14127 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14855 189.9
[M+Na]+ 421.13049 196.8
[M-H]- 397.13399 199.4
[M+NH4]+ 416.17509 201.5
[M+K]+ 437.10443 193.1
[M+H-H2O]+ 381.13853 181.6
[M+HCOO]- 443.13947 207.4
[M+CH3COO]- 457.15512 199.9
[M+Na-2H]- 419.11594 190.7
[M]+ 398.14072 194.6
[M]- 398.14182 194.6
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