CID 21896374

133975-85-6

Structural Information

Molecular Formula
C17H31F3N3O3P
SMILES
CC(C)N(C(C)C)P(OCCCCCCNC(=O)C(F)(F)F)OCCC#N
InChI
InChI=1S/C17H31F3N3O3P/c1-14(2)23(15(3)4)27(26-13-9-10-21)25-12-8-6-5-7-11-22-16(24)17(18,19)20/h14-15H,5-9,11-13H2,1-4H3,(H,22,24)
InChIKey
SMMKTKILBQHSFL-UHFFFAOYSA-N
Compound name
N-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
Patents

413.2055 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.21278 193.6
[M+Na]+ 436.19472 195.3
[M+NH4]+ 431.23932 191.7
[M+K]+ 452.16866 189.5
[M-H]- 412.19822 179.9
[M+Na-2H]- 434.18017 188.1
[M]+ 413.20495 188.4
[M]- 413.20605 188.4
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