CID 509943

Schembl7483406

Structural Information

Molecular Formula
C19H15Cl2N5OS
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC3=NN=C(S3)NC(=O)C4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C19H15Cl2N5OS/c20-13-5-3-6-14(21)16(13)17(27)24-19-26-25-18(28-19)22-9-8-11-10-23-15-7-2-1-4-12(11)15/h1-7,10,23H,8-9H2,(H,22,25)(H,24,26,27)
InChIKey
JREBFNFTEJEKDC-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

431.03745 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.04473 195.3
[M+Na]+ 454.02667 206.0
[M-H]- 430.03017 202.0
[M+NH4]+ 449.07127 206.8
[M+K]+ 470.00061 197.2
[M+H-H2O]+ 414.03471 187.4
[M+HCOO]- 476.03565 203.8
[M+CH3COO]- 490.05130 204.5
[M+Na-2H]- 452.01212 195.2
[M]+ 431.03690 201.6
[M]- 431.03800 201.6
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