CID 54691232

1h-tetrazole-5-sulfonamide, n-(3-(cyclopropyl (2,5-dihydro-4-hydroxy-2-oxo-2,5-dihydro-3-yl)-methyl)-phenyl)-1-phenyl-

Structural Information

Molecular Formula
C27H31N5O5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=NN=NN4C5=CC=CC=C5)O)CCC
InChI
InChI=1S/C27H31N5O5S/c1-3-15-27(16-4-2)24(33)23(25(34)37-27)22(18-13-14-18)19-9-8-10-20(17-19)29-38(35,36)26-28-30-31-32(26)21-11-6-5-7-12-21/h5-12,17-18,22,29,33H,3-4,13-16H2,1-2H3
InChIKey
BGZLOJBQRQEVAV-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]-1-phenyltetrazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.2046 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.21188 222.3
[M+Na]+ 560.19382 229.9
[M-H]- 536.19732 233.2
[M+NH4]+ 555.23842 221.4
[M+K]+ 576.16776 224.5
[M+H-H2O]+ 520.20186 214.9
[M+HCOO]- 582.20280 233.3
[M+CH3COO]- 596.21845 228.6
[M+Na-2H]- 558.17927 219.9
[M]+ 537.20405 230.3
[M]- 537.20515 230.3
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.