CID 131606

Artilide

Structural Information

Molecular Formula
C19H34N2O3S
SMILES
CCCCN(CCCC)CCC[C@H](C1=CC=C(C=C1)NS(=O)(=O)C)O
InChI
InChI=1S/C19H34N2O3S/c1-4-6-14-21(15-7-5-2)16-8-9-19(22)17-10-12-18(13-11-17)20-25(3,23)24/h10-13,19-20,22H,4-9,14-16H2,1-3H3/t19-/m1/s1
InChIKey
UAARDOOBGJGDJV-LJQANCHMSA-N
Compound name
N-[4-[(1R)-4-(dibutylamino)-1-hydroxybutyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

277
Patents

370.229 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23628 191.5
[M+Na]+ 393.21822 193.5
[M-H]- 369.22172 193.4
[M+NH4]+ 388.26282 203.4
[M+K]+ 409.19216 189.9
[M+H-H2O]+ 353.22626 183.2
[M+HCOO]- 415.22720 206.6
[M+CH3COO]- 429.24285 222.6
[M+Na-2H]- 391.20367 190.5
[M]+ 370.22845 196.9
[M]- 370.22955 196.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe