CID 17955290

(7-azabenzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate

Structural Information

Molecular Formula
C11H21N7OP
SMILES
CN(C)[P+](N(C)C)(N(C)C)ON1C2=C(C=CC=N2)N=N1
InChI
InChI=1S/C11H21N7OP/c1-15(2)20(16(3)4,17(5)6)19-18-11-10(13-14-18)8-7-9-12-11/h7-9H,1-6H3/q+1
InChIKey
YODXEGYEZLVDMR-UHFFFAOYSA-N
Compound name
tris(dimethylamino)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

298.1545 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16178 164.9
[M+Na]+ 321.14372 171.2
[M-H]- 297.14722 168.3
[M+NH4]+ 316.18832 178.9
[M+K]+ 337.11766 167.5
[M+H-H2O]+ 281.15176 155.3
[M+HCOO]- 343.15270 193.3
[M+CH3COO]- 357.16835 213.9
[M+Na-2H]- 319.12917 173.2
[M]+ 298.15395 170.6
[M]- 298.15505 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe