CID 53439138

Tert-butyl {2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl}carbamate--hydrogen chloride (1/1)

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)N(C)CC2=CC=CC=C2
InChI
InChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)22-18(17-13-9-6-10-14-17)19(24)23(4)15-16-11-7-5-8-12-16/h5-14,18H,15H2,1-4H3,(H,22,25)
InChIKey
QTOQJSNIIYEOBN-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

354.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.201616 187.4
[M+Na]+ 377.183558 189.4
[M-H]- 353.187064 194.4
[M+NH4]+ 372.228163 199.5
[M+K]+ 393.157498 188.2
[M+H-H2O]+ 337.191600 178.4
[M+HCOO]- 399.192541 208.4
[M+CH3COO]- 413.208191 221.0
[M+Na-2H]- 375.169006 189.1
[M]+ 354.19379142 188.9
[M]- 354.19488858 188.9
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

patents stripe