CID 198733

Bl-843

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)OCC=C)O
InChI
InChI=1S/C16H24N2O4/c1-4-9-21-16(20)18-13-5-7-15(8-6-13)22-11-14(19)10-17-12(2)3/h4-8,12,14,17,19H,1,9-11H2,2-3H3,(H,18,20)
InChIKey
NULAGIIMCQFRNG-UHFFFAOYSA-N
Compound name
prop-2-enyl 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

308.1736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 175.0
[M+Na]+ 331.16282 177.6
[M-H]- 307.16632 176.2
[M+NH4]+ 326.20742 188.1
[M+K]+ 347.13676 175.8
[M+H-H2O]+ 291.17086 167.1
[M+HCOO]- 353.17180 196.0
[M+CH3COO]- 367.18745 209.0
[M+Na-2H]- 329.14827 175.2
[M]+ 308.17305 176.6
[M]- 308.17415 176.6
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.