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 190.6
[M+Na]+ 387.15966 194.7
[M-H]- 363.16316 198.2
[M+NH4]+ 382.20426 202.1
[M+K]+ 403.13360 188.9
[M+H-H2O]+ 347.16770 178.2
[M+HCOO]- 409.16864 218.9
[M+CH3COO]- 423.18429 222.7
[M+Na-2H]- 385.14511 192.5
[M]+ 364.16989 189.9
[M]- 364.17099 189.9
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.