CID 85513

16613-92-6

Structural Information

Molecular Formula
C16H29N2O2P
SMILES
CCCCN(C)P(=O)(N(C)CCCC)OC1=CC=CC=C1
InChI
InChI=1S/C16H29N2O2P/c1-5-7-14-17(3)21(19,18(4)15-8-6-2)20-16-12-10-9-11-13-16/h9-13H,5-8,14-15H2,1-4H3
InChIKey
HMMSDCDWINKIDT-UHFFFAOYSA-N
Compound name
N-[[butyl(methyl)amino]-phenoxyphosphoryl]-N-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

312.19666 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.20394 180.8
[M+Na]+ 335.18588 183.7
[M-H]- 311.18938 184.8
[M+NH4]+ 330.23048 196.6
[M+K]+ 351.15982 183.6
[M+H-H2O]+ 295.19392 170.3
[M+HCOO]- 357.19486 210.1
[M+CH3COO]- 371.21051 219.7
[M+Na-2H]- 333.17133 181.2
[M]+ 312.19611 187.3
[M]- 312.19721 187.3
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

patents stripe