CID 54435

Bl 435

Structural Information

Molecular Formula
C18H30N2O4
SMILES
CCCCOC(=O)NC1=CC(=CC=C1)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C18H30N2O4/c1-5-6-10-23-17(22)20-14-8-7-9-16(11-14)24-13-15(21)12-19-18(2,3)4/h7-9,11,15,19,21H,5-6,10,12-13H2,1-4H3,(H,20,22)
InChIKey
ACHWOQPJNYIJQL-UHFFFAOYSA-N
Compound name
butyl N-[3-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22055 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 184.6
[M+Na]+ 361.20977 186.9
[M-H]- 337.21327 185.8
[M+NH4]+ 356.25437 196.9
[M+K]+ 377.18371 185.3
[M+H-H2O]+ 321.21781 177.0
[M+HCOO]- 383.21875 204.2
[M+CH3COO]- 397.23440 214.6
[M+Na-2H]- 359.19522 186.1
[M]+ 338.22000 187.7
[M]- 338.22110 187.7
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.