CID 510314

Schembl7482759

Structural Information

Molecular Formula
C22H19FN4O2S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCC4=CC=C(C=C4)F
InChI
InChI=1S/C22H19FN4O2S/c1-2-29-18-12-9-15-5-3-4-6-17(15)19(18)20(28)25-22-27-26-21(30-22)24-13-14-7-10-16(23)11-8-14/h3-12H,2,13H2,1H3,(H,24,26)(H,25,27,28)
InChIKey
JAMKZJUXXWRWTG-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

422.12128 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.12856 196.1
[M+Na]+ 445.11050 204.9
[M-H]- 421.11400 203.7
[M+NH4]+ 440.15510 206.2
[M+K]+ 461.08444 197.5
[M+H-H2O]+ 405.11854 185.2
[M+HCOO]- 467.11948 214.1
[M+CH3COO]- 481.13513 205.5
[M+Na-2H]- 443.09595 198.7
[M]+ 422.12073 200.5
[M]- 422.12183 200.5
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