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]+ 330.18526 176.6
[M+Na]+ 352.16720 184.0
[M-H]- 328.17070 186.4
[M+NH4]+ 347.21180 183.4
[M+K]+ 368.14114 177.7
[M+H-H2O]+ 312.17524 167.0
[M+HCOO]- 374.17618 196.1
[M+CH3COO]- 388.19183 186.4
[M+Na-2H]- 350.15265 181.7
[M]+ 329.17743 177.2
[M]- 329.17853 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.