CID 71309688

960128-64-7

Structural Information

Molecular Formula
C22H22NP
SMILES
C1C[C@H](C2=C(C1)C=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)N
InChI
InChI=1S/C22H22NP/c23-20-15-7-9-17-10-8-16-21(22(17)20)24(18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-6,8,10-14,16,20H,7,9,15,23H2/t20-/m1/s1
InChIKey
KTWOFTBMHDQUEE-HXUWFJFHSA-N
Compound name
(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

331.149 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15628 181.2
[M+Na]+ 354.13822 184.6
[M-H]- 330.14172 188.5
[M+NH4]+ 349.18282 194.7
[M+K]+ 370.11216 178.1
[M+H-H2O]+ 314.14626 168.9
[M+HCOO]- 376.14720 204.9
[M+CH3COO]- 390.16285 190.1
[M+Na-2H]- 352.12367 180.3
[M]+ 331.14845 175.1
[M]- 331.14955 175.1
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