CID 509434

Schembl7482574

Structural Information

Molecular Formula
C17H18N6O2S
SMILES
C1CC(=O)N(C1)CCCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C17H18N6O2S/c18-11-12-4-6-13(7-5-12)15(25)20-17-22-21-16(26-17)19-8-2-10-23-9-1-3-14(23)24/h4-7H,1-3,8-10H2,(H,19,21)(H,20,22,25)
InChIKey
HNVZBVZZOIEXHB-UHFFFAOYSA-N
Compound name
4-cyano-N-[5-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

370.1212 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12848 187.4
[M+Na]+ 393.11042 195.0
[M-H]- 369.11392 191.5
[M+NH4]+ 388.15502 197.1
[M+K]+ 409.08436 189.5
[M+H-H2O]+ 353.11846 170.6
[M+HCOO]- 415.11940 200.0
[M+CH3COO]- 429.13505 225.0
[M+Na-2H]- 391.09587 184.6
[M]+ 370.12065 182.6
[M]- 370.12175 182.6
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