CID 291744

Methyl 1-tritylaziridine-2-carboxylate

Structural Information

Molecular Formula
C23H21NO2
SMILES
COC(=O)C1CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H21NO2/c1-26-22(25)21-17-24(21)23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3
InChIKey
QGSITPKXYQEFIR-UHFFFAOYSA-N
Compound name
methyl 1-tritylaziridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

343.15723 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16451 180.8
[M+Na]+ 366.14645 187.6
[M-H]- 342.14995 191.6
[M+NH4]+ 361.19105 187.2
[M+K]+ 382.12039 182.6
[M+H-H2O]+ 326.15449 170.7
[M+HCOO]- 388.15543 201.0
[M+CH3COO]- 402.17108 190.5
[M+Na-2H]- 364.13190 185.7
[M]+ 343.15668 182.6
[M]- 343.15778 182.6
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.