CID 58440

P-methylbenzyl n-(2-(diethylamino)ethyl)carbamate hydrochloride

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CCN(CC)CCNC(=O)OCC1=CC=C(C=C1)C
InChI
InChI=1S/C15H24N2O2/c1-4-17(5-2)11-10-16-15(18)19-12-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKey
IPBAVYFOTQQABP-UHFFFAOYSA-N
Compound name
(4-methylphenyl)methyl N-[2-(diethylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.191056 165.7
[M+Na]+ 287.172998 169.9
[M-H]- 263.176504 169.9
[M+NH4]+ 282.217603 182.4
[M+K]+ 303.146938 168.8
[M+H-H2O]+ 247.181040 157.8
[M+HCOO]- 309.181981 190.4
[M+CH3COO]- 323.197631 206.5
[M+Na-2H]- 285.158446 168.4
[M]+ 264.18323142 169.2
[M]- 264.18432858 169.2
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.