CID 3068256

Bl-943

Structural Information

Molecular Formula
C16H26N2O4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)OC(C)C)O
InChI
InChI=1S/C16H26N2O4/c1-11(2)17-9-14(19)10-21-15-7-5-13(6-8-15)18-16(20)22-12(3)4/h5-8,11-12,14,17,19H,9-10H2,1-4H3,(H,18,20)
InChIKey
MMLPXZQZMNUTOX-UHFFFAOYSA-N
Compound name
propan-2-yl N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.18927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19655 175.8
[M+Na]+ 333.17849 182.3
[M+NH4]+ 328.22309 180.3
[M+K]+ 349.15243 179.2
[M-H]- 309.18199 175.7
[M+Na-2H]- 331.16394 177.8
[M]+ 310.18872 176.1
[M]- 310.18982 176.1
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.