CID 510250

Schembl7481929

Structural Information

Molecular Formula
C22H26N4O2S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCC4CCCCC4
InChI
InChI=1S/C22H26N4O2S/c1-2-28-18-13-12-16-10-6-7-11-17(16)19(18)20(27)24-22-26-25-21(29-22)23-14-15-8-4-3-5-9-15/h6-7,10-13,15H,2-5,8-9,14H2,1H3,(H,23,25)(H,24,26,27)
InChIKey
YMIYEXZQWXGAQH-UHFFFAOYSA-N
Compound name
N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

410.17764 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.184916 193.7
[M+Na]+ 433.166858 198.5
[M-H]- 409.170364 201.0
[M+NH4]+ 428.211463 203.9
[M+K]+ 449.140798 192.3
[M+H-H2O]+ 393.174900 183.6
[M+HCOO]- 455.175841 208.6
[M+CH3COO]- 469.191491 201.8
[M+Na-2H]- 431.152306 194.9
[M]+ 410.17709142 194.5
[M]- 410.17818858 194.5
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