CID 55375

Brn 5096875

Structural Information

Molecular Formula
C22H25N2OP
SMILES
CC1=CC=C(C=C1)NCP(=O)(CNC2=CC=C(C=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C22H25N2OP/c1-18-8-12-20(13-9-18)23-16-26(25,22-6-4-3-5-7-22)17-24-21-14-10-19(2)11-15-21/h3-15,23-24H,16-17H2,1-2H3
InChIKey
BHXGJLPTBUIKHS-UHFFFAOYSA-N
Compound name
4-methyl-N-[[(4-methylanilino)methyl-phenylphosphoryl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17044 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17772 192.2
[M+Na]+ 387.15966 205.9
[M+NH4]+ 382.20426 200.0
[M+K]+ 403.13360 196.6
[M-H]- 363.16316 199.7
[M+Na-2H]- 385.14511 203.0
[M]+ 364.16989 196.3
[M]- 364.17099 196.3
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

No patent data available for this compound.