CID 509920

Schembl7477876

Structural Information

Molecular Formula
C25H26N4O2S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCCCCC4=CC=CC=C4
InChI
InChI=1S/C25H26N4O2S/c1-2-31-21-16-15-19-13-6-7-14-20(19)22(21)23(30)27-25-29-28-24(32-25)26-17-9-8-12-18-10-4-3-5-11-18/h3-7,10-11,13-16H,2,8-9,12,17H2,1H3,(H,26,28)(H,27,29,30)
InChIKey
KUSCDMIYAQYYDK-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

446.17764 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.18492 205.1
[M+Na]+ 469.16686 211.5
[M-H]- 445.17036 213.0
[M+NH4]+ 464.21146 213.9
[M+K]+ 485.14080 204.1
[M+H-H2O]+ 429.17490 194.4
[M+HCOO]- 491.17584 223.1
[M+CH3COO]- 505.19149 213.4
[M+Na-2H]- 467.15231 207.6
[M]+ 446.17709 210.8
[M]- 446.17819 210.8
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