CID 29912

9017 hc

Structural Information

Molecular Formula
C34H46N4O6P2
SMILES
C[N+](C)(CCNP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)CC[N+](C)(C)CCNP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C34H46N4O6P2/c1-37(2,27-25-35-45(39,41-31-17-9-5-10-18-31)42-32-19-11-6-12-20-32)29-30-38(3,4)28-26-36-46(40,43-33-21-13-7-14-22-33)44-34-23-15-8-16-24-34/h5-24H,25-30H2,1-4H3,(H,35,39)(H,36,40)/q+2
InChIKey
DFALXNWHCWMFEC-UHFFFAOYSA-N
Compound name
2-(diphenoxyphosphorylamino)ethyl-[2-[2-(diphenoxyphosphorylamino)ethyl-dimethylazaniumyl]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

668.28925 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.29653 252.8
[M+Na]+ 691.27847 246.9
[M-H]- 667.28197 262.1
[M+NH4]+ 686.32307 250.5
[M+K]+ 707.25241 235.7
[M+H-H2O]+ 651.28651 238.9
[M+HCOO]- 713.28745 280.7
[M+CH3COO]- 727.30310 267.6
[M+Na-2H]- 689.26392 265.3
[M]+ 668.28870 254.1
[M]- 668.28980 254.1
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.