CID 509860

Schembl7482328

Structural Information

Molecular Formula
C17H21N5O2S
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NCCCN3CCCC3=O
InChI
InChI=1S/C17H21N5O2S/c1-12-5-7-13(8-6-12)15(24)19-17-21-20-16(25-17)18-9-3-11-22-10-2-4-14(22)23/h5-8H,2-4,9-11H2,1H3,(H,18,20)(H,19,21,24)
InChIKey
JZIVYFRJELEGLD-UHFFFAOYSA-N
Compound name
4-methyl-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

359.1416 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14888 182.9
[M+Na]+ 382.13082 188.9
[M-H]- 358.13432 189.4
[M+NH4]+ 377.17542 195.0
[M+K]+ 398.10476 184.2
[M+H-H2O]+ 342.13886 173.6
[M+HCOO]- 404.13980 199.6
[M+CH3COO]- 418.15545 215.3
[M+Na-2H]- 380.11627 180.4
[M]+ 359.14105 184.1
[M]- 359.14215 184.1
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