CID 4285175

156311-83-0

Structural Information

Molecular Formula
C17H27N7OP
SMILES
C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=N5)N=N4
InChI
InChI=1S/C17H27N7OP/c1-2-11-21(10-1)26(22-12-3-4-13-22,23-14-5-6-15-23)25-24-17-16(19-20-24)8-7-9-18-17/h7-9H,1-6,10-15H2/q+1
InChIKey
NZFCFINYMZDNDL-UHFFFAOYSA-N
Compound name
tripyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2614
Patents

376.20148 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.208756 182.5
[M+Na]+ 399.190698 183.9
[M-H]- 375.194204 186.7
[M+NH4]+ 394.235303 191.2
[M+K]+ 415.164638 178.0
[M+H-H2O]+ 359.198740 169.8
[M+HCOO]- 421.199681 197.4
[M+CH3COO]- 435.215331 207.4
[M+Na-2H]- 397.176146 177.5
[M]+ 376.20093142 176.0
[M]- 376.20202858 176.0
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