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

257
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

literature stripe

Patent stripe

patents stripe