CID 49793474

1067225-04-0

Structural Information

Molecular Formula
C25H26NO2P
SMILES
CC(C)(C)[C@@H](C(=O)O)N=CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H26NO2P/c1-25(2,3)23(24(27)28)26-18-19-12-10-11-17-22(19)29(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h4-18,23H,1-3H3,(H,27,28)/t23-/m1/s1
InChIKey
KBBVVRIYDFHDPN-HSZRJFAPSA-N
Compound name
(2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

403.1701 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17738 202.4
[M+Na]+ 426.15932 204.5
[M-H]- 402.16282 209.6
[M+NH4]+ 421.20392 212.1
[M+K]+ 442.13326 199.9
[M+H-H2O]+ 386.16736 190.1
[M+HCOO]- 448.16830 226.2
[M+CH3COO]- 462.18395 227.6
[M+Na-2H]- 424.14477 199.7
[M]+ 403.16955 201.8
[M]- 403.17065 201.8
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