CID 305999

47182-90-1

Structural Information

Molecular Formula
C16H27N4OP
SMILES
CN1CCN(CC1)P(=O)(C2=CC=CC=C2)N3CCN(CC3)C
InChI
InChI=1S/C16H27N4OP/c1-17-8-12-19(13-9-17)22(21,16-6-4-3-5-7-16)20-14-10-18(2)11-15-20/h3-7H,8-15H2,1-2H3
InChIKey
FMLFMNQLMWWKRU-UHFFFAOYSA-N
Compound name
1-methyl-4-[(4-methylpiperazin-1-yl)-phenylphosphoryl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.19226 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19954 182.5
[M+Na]+ 345.18148 184.6
[M-H]- 321.18498 183.3
[M+NH4]+ 340.22608 190.4
[M+K]+ 361.15542 180.5
[M+H-H2O]+ 305.18952 167.9
[M+HCOO]- 367.19046 196.7
[M+CH3COO]- 381.20611 208.0
[M+Na-2H]- 343.16693 180.5
[M]+ 322.19171 174.4
[M]- 322.19281 174.4
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.