CID 688171

N-(diphenylmethylene)glycine tert-butyl ester

Structural Information

Molecular Formula
C19H21NO2
SMILES
CC(C)(C)OC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H21NO2/c1-19(2,3)22-17(21)14-20-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKey
YSHDPXQDVKNPKA-UHFFFAOYSA-N
Compound name
tert-butyl 2-(benzhydrylideneamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1185
Patents

295.15723 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 171.7
[M+Na]+ 318.14645 176.3
[M-H]- 294.14995 179.1
[M+NH4]+ 313.19105 186.9
[M+K]+ 334.12039 173.5
[M+H-H2O]+ 278.15449 163.4
[M+HCOO]- 340.15543 194.2
[M+CH3COO]- 354.17108 206.9
[M+Na-2H]- 316.13190 176.3
[M]+ 295.15668 173.2
[M]- 295.15778 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe