CID 469461

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

Structural Information

Molecular Formula
C21H20N4S
SMILES
C1=CC=C2C(=C1)C=CC=C2NC3NNC(S3)CN4C=CC5=CC=CC=C54
InChI
InChI=1S/C21H20N4S/c1-3-9-17-15(6-1)8-5-10-18(17)22-21-24-23-20(26-21)14-25-13-12-16-7-2-4-11-19(16)25/h1-13,20-24H,14H2
InChIKey
ZNBNWFJJCXMGQJ-UHFFFAOYSA-N
Compound name
5-(indol-1-ylmethyl)-N-naphthalen-1-yl-1,3,4-thiadiazolidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.14087 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14815 178.0
[M+Na]+ 383.13009 186.9
[M-H]- 359.13359 184.0
[M+NH4]+ 378.17469 191.5
[M+K]+ 399.10403 177.9
[M+H-H2O]+ 343.13813 170.1
[M+HCOO]- 405.13907 191.2
[M+CH3COO]- 419.15472 187.5
[M+Na-2H]- 381.11554 179.8
[M]+ 360.14032 176.7
[M]- 360.14142 176.7
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.