CID 469460

5-(indol-1-ylmethyl)-n-(p-tolyl)-1,3,4-thiadiazolidin-2-amine

Structural Information

Molecular Formula
C18H20N4S
SMILES
CC1=CC=C(C=C1)NC2NNC(S2)CN3C=CC4=CC=CC=C43
InChI
InChI=1S/C18H20N4S/c1-13-6-8-15(9-7-13)19-18-21-20-17(23-18)12-22-11-10-14-4-2-3-5-16(14)22/h2-11,17-21H,12H2,1H3
InChIKey
PCKHRDPPRJNZCL-UHFFFAOYSA-N
Compound name
5-(indol-1-ylmethyl)-N-(4-methylphenyl)-1,3,4-thiadiazolidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.14087 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14815 171.9
[M+Na]+ 347.13009 180.7
[M-H]- 323.13359 177.2
[M+NH4]+ 342.17469 186.1
[M+K]+ 363.10403 172.8
[M+H-H2O]+ 307.13813 164.1
[M+HCOO]- 369.13907 186.2
[M+CH3COO]- 383.15472 182.0
[M+Na-2H]- 345.11554 172.0
[M]+ 324.14032 170.6
[M]- 324.14142 170.6
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

No patent data available for this compound.