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

277
Patents

413.2055 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.212776 189.7
[M+Na]+ 436.194718 191.8
[M-H]- 412.198224 221.0
[M+NH4]+ 431.239323 226.8
[M+K]+ 452.168658 193.0
[M+H-H2O]+ 396.202760 171.8
[M+HCOO]- 458.203701 221.6
[M+CH3COO]- 472.219351 243.2
[M+Na-2H]- 434.180166 183.6
[M]+ 413.20495142 211.6
[M]- 413.20604858 211.6
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