CID 6912364

134308-49-9

Structural Information

Molecular Formula
C19H25N5O2S
SMILES
C1C[C@@H]2C[C@H]1[C@@H]([C@H]2NS(=O)(=O)C3=CC=CC=C3)/C=C\CCCC4=NNN=N4
InChI
InChI=1S/C19H25N5O2S/c25-27(26,16-7-3-1-4-8-16)22-19-15-12-11-14(13-15)17(19)9-5-2-6-10-18-20-23-24-21-18/h1,3-5,7-9,14-15,17,19,22H,2,6,10-13H2,(H,20,21,23,24)/b9-5-/t14-,15+,17-,19-/m0/s1
InChIKey
ADQNCAQLDRSBAY-NORQDMGSSA-N
Compound name
N-[(1R,2S,3R,4S)-3-[(Z)-5-(2H-tetrazol-5-yl)pent-1-enyl]-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.18016 188.9
[M+Na]+ 410.16210 196.3
[M+NH4]+ 405.20670 194.2
[M+K]+ 426.13604 194.6
[M-H]- 386.16560 189.3
[M+Na-2H]- 408.14755 191.3
[M]+ 387.17233 190.0
[M]- 387.17343 190.0
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

No patent data available for this compound.