CID 219308

5337-16-6

Structural Information

Molecular Formula
C24H36N4O7P2
SMILES
CC(C)N(C(C)C)P(=O)(C1=CC=C(C=C1)[N+](=O)[O-])OP(=O)(C2=CC=C(C=C2)[N+](=O)[O-])N(C(C)C)C(C)C
InChI
InChI=1S/C24H36N4O7P2/c1-17(2)25(18(3)4)36(33,23-13-9-21(10-14-23)27(29)30)35-37(34,26(19(5)6)20(7)8)24-15-11-22(12-16-24)28(31)32/h9-20H,1-8H3
InChIKey
QYSOTSPLJXOLFZ-UHFFFAOYSA-N
Compound name
N-[[[di(propan-2-yl)amino]-(4-nitrophenyl)phosphoryl]oxy-(4-nitrophenyl)phosphoryl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.20593 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.21321 228.2
[M+Na]+ 577.19515 241.3
[M-H]- 553.19865 241.1
[M+NH4]+ 572.23975 247.7
[M+K]+ 593.16909 236.1
[M+H-H2O]+ 537.20319 204.0
[M+HCOO]- 599.20413 238.2
[M+CH3COO]- 613.21978 251.1
[M+Na-2H]- 575.18060 219.4
[M]+ 554.20538 218.2
[M]- 554.20648 218.2
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.