CID 3070058

Brn 5148406

Structural Information

Molecular Formula
C25H30N3P
SMILES
CC1=CC=C(C=C1)NCP2CN(CN(C2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C
InChI
InChI=1S/C25H30N3P/c1-20-4-10-23(11-5-20)26-16-29-18-27(24-12-6-21(2)7-13-24)17-28(19-29)25-14-8-22(3)9-15-25/h4-15,26H,16-19H2,1-3H3
InChIKey
ACAJFXMSXXBBEM-UHFFFAOYSA-N
Compound name
N-[[1,3-bis(4-methylphenyl)-1,3,5-diazaphosphinan-5-yl]methyl]-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.21774 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.22502 204.1
[M+Na]+ 426.20696 207.9
[M-H]- 402.21046 211.5
[M+NH4]+ 421.25156 211.5
[M+K]+ 442.18090 200.4
[M+H-H2O]+ 386.21500 188.5
[M+HCOO]- 448.21594 225.6
[M+CH3COO]- 462.23159 211.1
[M+Na-2H]- 424.19241 200.0
[M]+ 403.21719 199.7
[M]- 403.21829 199.7
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.