CID 3818430

N-[dibutoxyphosphoryl(phenyl)methyl]aniline

Structural Information

Molecular Formula
C21H30NO3P
SMILES
CCCCOP(=O)(C(C1=CC=CC=C1)NC2=CC=CC=C2)OCCCC
InChI
InChI=1S/C21H30NO3P/c1-3-5-17-24-26(23,25-18-6-4-2)21(19-13-9-7-10-14-19)22-20-15-11-8-12-16-20/h7-16,21-22H,3-6,17-18H2,1-2H3
InChIKey
CXTOUQOCPBLIEJ-UHFFFAOYSA-N
Compound name
N-[dibutoxyphosphoryl(phenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.19632 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20360 196.4
[M+Na]+ 398.18554 198.3
[M-H]- 374.18904 200.1
[M+NH4]+ 393.23014 207.7
[M+K]+ 414.15948 194.8
[M+H-H2O]+ 358.19358 184.6
[M+HCOO]- 420.19452 222.4
[M+CH3COO]- 434.21017 221.4
[M+Na-2H]- 396.17099 196.5
[M]+ 375.19577 200.5
[M]- 375.19687 200.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.