CID 51896

3-(diisobutylamino)-2-hydroxypropyl carbanilate hydrochloride

Structural Information

Molecular Formula
C18H30N2O3
SMILES
CC(C)CN(CC(C)C)CC(COC(=O)NC1=CC=CC=C1)O
InChI
InChI=1S/C18H30N2O3/c1-14(2)10-20(11-15(3)4)12-17(21)13-23-18(22)19-16-8-6-5-7-9-16/h5-9,14-15,17,21H,10-13H2,1-4H3,(H,19,22)
InChIKey
NUTBQJGMNHJUHZ-UHFFFAOYSA-N
Compound name
[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.22565 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.23293 183.9
[M+Na]+ 345.21487 184.6
[M-H]- 321.21837 186.0
[M+NH4]+ 340.25947 196.9
[M+K]+ 361.18881 184.2
[M+H-H2O]+ 305.22291 175.6
[M+HCOO]- 367.22385 203.3
[M+CH3COO]- 381.23950 216.6
[M+Na-2H]- 343.20032 181.6
[M]+ 322.22510 185.7
[M]- 322.22620 185.7
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.