CID 3068248

Bl-545

Structural Information

Molecular Formula
C19H32N2O4
SMILES
CCCCCOC(=O)NC1=CC=C(C=C1)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C19H32N2O4/c1-5-6-7-12-24-18(23)21-15-8-10-17(11-9-15)25-14-16(22)13-20-19(2,3)4/h8-11,16,20,22H,5-7,12-14H2,1-4H3,(H,21,23)
InChIKey
NBGRBIARXUSJPJ-UHFFFAOYSA-N
Compound name
pentyl N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2362 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.24348 189.1
[M+Na]+ 375.22542 190.9
[M-H]- 351.22892 190.0
[M+NH4]+ 370.27002 200.8
[M+K]+ 391.19936 189.1
[M+H-H2O]+ 335.23346 181.2
[M+HCOO]- 397.23440 208.3
[M+CH3COO]- 411.25005 217.5
[M+Na-2H]- 373.21087 190.0
[M]+ 352.23565 192.6
[M]- 352.23675 192.6
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.