CID 385323

Nsc676440

Structural Information

Molecular Formula
C25H28N2S
SMILES
C1C2CC3CC1CC(C2)(C3)N4CC(SC4=NC5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C25H28N2S/c1-3-7-21(8-4-1)23-17-27(24(28-23)26-22-9-5-2-6-10-22)25-14-18-11-19(15-25)13-20(12-18)16-25/h1-10,18-20,23H,11-17H2
InChIKey
KHYPIIHHYPGAMH-UHFFFAOYSA-N
Compound name
3-(1-adamantyl)-N,5-diphenyl-1,3-thiazolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.19733 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20461 178.2
[M+Na]+ 411.18655 179.0
[M-H]- 387.19005 181.0
[M+NH4]+ 406.23115 197.1
[M+K]+ 427.16049 173.0
[M+H-H2O]+ 371.19459 167.4
[M+HCOO]- 433.19553 181.1
[M+CH3COO]- 447.21118 184.5
[M+Na-2H]- 409.17200 183.8
[M]+ 388.19678 177.1
[M]- 388.19788 177.1
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.