CID 46177587

(1s,2s)-2-(diphenylphosphino)-1,2-diphenylethylamine

Structural Information

Molecular Formula
C26H24NP
SMILES
C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)N
InChI
InChI=1S/C26H24NP/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H,27H2/t25-,26-/m0/s1
InChIKey
MIPGTOGPLXZBQX-UIOOFZCWSA-N
Compound name
(1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

381.16464 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17192 196.5
[M+Na]+ 404.15386 197.4
[M-H]- 380.15736 205.3
[M+NH4]+ 399.19846 205.6
[M+K]+ 420.12780 190.8
[M+H-H2O]+ 364.16190 182.9
[M+HCOO]- 426.16284 220.8
[M+CH3COO]- 440.17849 203.8
[M+Na-2H]- 402.13931 193.8
[M]+ 381.16409 190.9
[M]- 381.16519 190.9
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

patents stripe