CID 9571518

Nsc676760

Structural Information

Molecular Formula
C19H32F6N5O4P
SMILES
CCC1=NC(N=C(O1)/N=C(\N)/N(C)C(C(C)C)P(=O)(OC(C)C)OC(C)C)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C19H32F6N5O4P/c1-9-13-28-17(18(20,21)22,19(23,24)25)29-16(32-13)27-15(26)30(8)14(10(2)3)35(31,33-11(4)5)34-12(6)7/h10-12,14H,9H2,1-8H3,(H2,26,27,29)
InChIKey
BRRBBMGKRWVXNP-UHFFFAOYSA-N
Compound name
1-[1-di(propan-2-yloxy)phosphoryl-2-methylpropyl]-2-[6-ethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]-1-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.2096 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.21688 222.1
[M+Na]+ 562.19882 225.3
[M-H]- 538.20232 219.2
[M+NH4]+ 557.24342 222.1
[M+K]+ 578.17276 227.9
[M+H-H2O]+ 522.20686 208.3
[M+HCOO]- 584.20780 216.2
[M+CH3COO]- 598.22345 260.1
[M+Na-2H]- 560.18427 218.1
[M]+ 539.20905 198.7
[M]- 539.21015 198.7
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.