CID 2779444

Tris(3-aminophenyl)phosphine oxide

Structural Information

Molecular Formula
C18H18N3OP
SMILES
C1=CC(=CC(=C1)P(=O)(C2=CC=CC(=C2)N)C3=CC=CC(=C3)N)N
InChI
InChI=1S/C18H18N3OP/c19-13-4-1-7-16(10-13)23(22,17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H,19-21H2
InChIKey
BPKSEVADQCRIBR-UHFFFAOYSA-N
Compound name
3-bis(3-aminophenyl)phosphorylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

64
Patents

323.11874 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12602 176.9
[M+Na]+ 346.10796 183.0
[M-H]- 322.11146 184.3
[M+NH4]+ 341.15256 189.4
[M+K]+ 362.08190 177.3
[M+H-H2O]+ 306.11600 165.6
[M+HCOO]- 368.11694 205.8
[M+CH3COO]- 382.13259 215.7
[M+Na-2H]- 344.09341 177.8
[M]+ 323.11819 171.8
[M]- 323.11929 171.8
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