CID 509958

Schembl7480884

Structural Information

Molecular Formula
C23H22N4O2S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCCC4=CC=CC=C4
InChI
InChI=1S/C23H22N4O2S/c1-2-29-19-13-12-17-10-6-7-11-18(17)20(19)21(28)25-23-27-26-22(30-23)24-15-14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,24,26)(H,25,27,28)
InChIKey
GTKGJGXWPNLBAT-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

418.14636 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15364 196.8
[M+Na]+ 441.13558 204.3
[M-H]- 417.13908 205.2
[M+NH4]+ 436.18018 206.9
[M+K]+ 457.10952 197.2
[M+H-H2O]+ 401.14362 186.6
[M+HCOO]- 463.14456 215.6
[M+CH3COO]- 477.16021 206.0
[M+Na-2H]- 439.12103 200.3
[M]+ 418.14581 202.0
[M]- 418.14691 202.0
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