CID 99273

1,5-bis(dibutylphosphonoformamido)naphthalene

Structural Information

Molecular Formula
C28H44N2O8P2
SMILES
CCCCOP(=O)(C(=O)NC1=CC=CC2=C1C=CC=C2NC(=O)P(=O)(OCCCC)OCCCC)OCCCC
InChI
InChI=1S/C28H44N2O8P2/c1-5-9-19-35-39(33,36-20-10-6-2)27(31)29-25-17-13-16-24-23(25)15-14-18-26(24)30-28(32)40(34,37-21-11-7-3)38-22-12-8-4/h13-18H,5-12,19-22H2,1-4H3,(H,29,31)(H,30,32)
InChIKey
UAYNDWCRPSPOJZ-UHFFFAOYSA-N
Compound name
1-dibutoxyphosphoryl-N-[5-(dibutoxyphosphorylcarbonylamino)naphthalen-1-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.25726 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.26454 241.0
[M+Na]+ 621.24648 247.5
[M+NH4]+ 616.29108 246.7
[M+K]+ 637.22042 242.9
[M-H]- 597.24998 237.6
[M+Na-2H]- 619.23193 240.1
[M]+ 598.25671 241.7
[M]- 598.25781 241.7
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.