CID 469459

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

Structural Information

Molecular Formula
C17H18N4S
SMILES
C1=CC=C(C=C1)NC2NNC(S2)CN3C=CC4=CC=CC=C43
InChI
InChI=1S/C17H18N4S/c1-2-7-14(8-3-1)18-17-20-19-16(22-17)12-21-11-10-13-6-4-5-9-15(13)21/h1-11,16-20H,12H2
InChIKey
UEGCPDDHDYODSW-UHFFFAOYSA-N
Compound name
5-(indol-1-ylmethyl)-N-phenyl-1,3,4-thiadiazolidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.132476 166.4
[M+Na]+ 333.114418 174.8
[M-H]- 309.117924 171.4
[M+NH4]+ 328.159023 180.8
[M+K]+ 349.088358 167.1
[M+H-H2O]+ 293.122460 158.4
[M+HCOO]- 355.123401 181.1
[M+CH3COO]- 369.139051 176.6
[M+Na-2H]- 331.099866 167.7
[M]+ 310.12465142 164.3
[M]- 310.12574858 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.