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 227.2
[M+Na]+ 621.24648 236.7
[M-H]- 597.24998 228.6
[M+NH4]+ 616.29108 235.3
[M+K]+ 637.22042 226.6
[M+H-H2O]+ 581.25452 233.1
[M+HCOO]- 643.25546 246.5
[M+CH3COO]- 657.27111 266.0
[M+Na-2H]- 619.23193 212.2
[M]+ 598.25671 222.8
[M]- 598.25781 222.8
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.