CID 6478895

Schembl7480861

Structural Information

Molecular Formula
C17H21N5O2S
SMILES
C1COCCN1CCNC2=NN=C(S2)NC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C17H21N5O2S/c23-15(7-6-14-4-2-1-3-5-14)19-17-21-20-16(25-17)18-8-9-22-10-12-24-13-11-22/h1-7H,8-13H2,(H,18,20)(H,19,21,23)/b7-6+
InChIKey
HCSWUIJBZQRORY-VOTSOKGWSA-N
Compound name
(E)-N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

359.1416 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14888 181.7
[M+Na]+ 382.13082 185.5
[M-H]- 358.13432 187.1
[M+NH4]+ 377.17542 190.0
[M+K]+ 398.10476 180.9
[M+H-H2O]+ 342.13886 171.2
[M+HCOO]- 404.13980 195.4
[M+CH3COO]- 418.15545 189.7
[M+Na-2H]- 380.11627 182.7
[M]+ 359.14105 179.9
[M]- 359.14215 179.9
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