CID 9996682

[(2s,3s)-3-methyl-1-(triphenylmethyl)aziridin-2-yl]methanol

Structural Information

Molecular Formula
C23H23NO
SMILES
C[C@H]1[C@H](N1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CO
InChI
InChI=1S/C23H23NO/c1-18-22(17-25)24(18)23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22,25H,17H2,1H3/t18-,22+,24?/m0/s1
InChIKey
MHDNNWKUMQPYBF-OAFZIFGRSA-N
Compound name
[(2S,3S)-3-methyl-1-tritylaziridin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.17798 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.185256 176.6
[M+Na]+ 352.167198 184.0
[M-H]- 328.170704 186.4
[M+NH4]+ 347.211803 183.4
[M+K]+ 368.141138 177.7
[M+H-H2O]+ 312.175240 167.0
[M+HCOO]- 374.176181 196.1
[M+CH3COO]- 388.191831 186.4
[M+Na-2H]- 350.152646 181.7
[M]+ 329.17743142 177.2
[M]- 329.17852858 177.2
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.