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]+ 311.13248 166.4
[M+Na]+ 333.11442 174.8
[M-H]- 309.11792 171.4
[M+NH4]+ 328.15902 180.8
[M+K]+ 349.08836 167.1
[M+H-H2O]+ 293.12246 158.4
[M+HCOO]- 355.12340 181.1
[M+CH3COO]- 369.13905 176.6
[M+Na-2H]- 331.09987 167.7
[M]+ 310.12465 164.3
[M]- 310.12575 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.