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 176.8
[M+Na]+ 333.17849 178.9
[M-H]- 309.18199 178.1
[M+NH4]+ 328.22309 189.8
[M+K]+ 349.15243 178.3
[M+H-H2O]+ 293.18653 169.0
[M+HCOO]- 355.18747 196.5
[M+CH3COO]- 369.20312 210.7
[M+Na-2H]- 331.16394 175.7
[M]+ 310.18872 178.4
[M]- 310.18982 178.4
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.