CID 509811

Schembl7480227

Structural Information

Molecular Formula
C17H20ClN5OS
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC3=NN=C(S3)NC(=O)CCCCCl
InChI
InChI=1S/C17H20ClN5OS/c18-9-4-3-7-15(24)21-17-23-22-16(25-17)19-10-8-12-11-20-14-6-2-1-5-13(12)14/h1-2,5-6,11,20H,3-4,7-10H2,(H,19,22)(H,21,23,24)
InChIKey
SYSIUXGGLJGBGU-UHFFFAOYSA-N
Compound name
5-chloro-N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

377.1077 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11498 184.5
[M+Na]+ 400.09692 192.8
[M-H]- 376.10042 187.7
[M+NH4]+ 395.14152 197.6
[M+K]+ 416.07086 185.5
[M+H-H2O]+ 360.10496 176.3
[M+HCOO]- 422.10590 197.4
[M+CH3COO]- 436.12155 193.8
[M+Na-2H]- 398.08237 185.2
[M]+ 377.10715 190.3
[M]- 377.10825 190.3
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