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

309
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 189.7
[M+Na]+ 436.19472 191.8
[M-H]- 412.19822 221.0
[M+NH4]+ 431.23932 226.8
[M+K]+ 452.16866 193.0
[M+H-H2O]+ 396.20276 171.8
[M+HCOO]- 458.20370 221.6
[M+CH3COO]- 472.21935 243.2
[M+Na-2H]- 434.18017 183.6
[M]+ 413.20495 211.6
[M]- 413.20605 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