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

5
Patents

410.17764 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18492 193.7
[M+Na]+ 433.16686 198.5
[M-H]- 409.17036 201.0
[M+NH4]+ 428.21146 203.9
[M+K]+ 449.14080 192.3
[M+H-H2O]+ 393.17490 183.6
[M+HCOO]- 455.17584 208.6
[M+CH3COO]- 469.19149 201.8
[M+Na-2H]- 431.15231 194.9
[M]+ 410.17709 194.5
[M]- 410.17819 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