CID 510258

Schembl7486756

Structural Information

Molecular Formula
C23H30N4O2S
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)NC2=NN=C(S2)NCC3=CC=CO3)C(C)C
InChI
InChI=1S/C23H30N4O2S/c1-13(2)16-10-18(14(3)4)20(19(11-16)15(5)6)21(28)25-23-27-26-22(30-23)24-12-17-8-7-9-29-17/h7-11,13-15H,12H2,1-6H3,(H,24,26)(H,25,27,28)
InChIKey
RBYCNRCBHQZAOA-UHFFFAOYSA-N
Compound name
N-[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

426.20895 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21623 207.2
[M+Na]+ 449.19817 213.2
[M-H]- 425.20167 216.6
[M+NH4]+ 444.24277 217.1
[M+K]+ 465.17211 209.9
[M+H-H2O]+ 409.20621 198.7
[M+HCOO]- 471.20715 223.2
[M+CH3COO]- 485.22280 233.8
[M+Na-2H]- 447.18362 201.2
[M]+ 426.20840 214.0
[M]- 426.20950 214.0
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

patents stripe