CID 509922

Schembl7482736

Structural Information

Molecular Formula
C20H24N4O2S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCC(C)(C)C
InChI
InChI=1S/C20H24N4O2S/c1-5-26-15-11-10-13-8-6-7-9-14(13)16(15)17(25)22-19-24-23-18(27-19)21-12-20(2,3)4/h6-11H,5,12H2,1-4H3,(H,21,23)(H,22,24,25)
InChIKey
FGBUTTYUOUFUTB-UHFFFAOYSA-N
Compound name
N-[5-(2,2-dimethylpropylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

384.162 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16928 192.8
[M+Na]+ 407.15122 200.5
[M-H]- 383.15472 198.4
[M+NH4]+ 402.19582 205.0
[M+K]+ 423.12516 195.2
[M+H-H2O]+ 367.15926 184.1
[M+HCOO]- 429.16020 209.6
[M+CH3COO]- 443.17585 222.6
[M+Na-2H]- 405.13667 195.9
[M]+ 384.16145 199.0
[M]- 384.16255 199.0
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