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 191.6
[M+Na]+ 410.16210 198.0
[M-H]- 386.16560 195.2
[M+NH4]+ 405.20670 204.4
[M+K]+ 426.13604 192.6
[M+H-H2O]+ 370.17014 184.2
[M+HCOO]- 432.17108 203.0
[M+CH3COO]- 446.18673 199.7
[M+Na-2H]- 408.14755 189.6
[M]+ 387.17233 192.7
[M]- 387.17343 192.7
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.