CID 2724700

Pybop

Structural Information

Molecular Formula
C18H28N6OP
SMILES
C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4
InChI
InChI=1S/C18H28N6OP/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23/h1-2,9-10H,3-8,11-16H2/q+1
InChIKey
WGNZRLMOMHJUSP-UHFFFAOYSA-N
Compound name
benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7569
Patents

375.2062 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.21348 184.1
[M+Na]+ 398.19542 185.2
[M-H]- 374.19892 189.3
[M+NH4]+ 393.24002 194.2
[M+K]+ 414.16936 179.0
[M+H-H2O]+ 358.20346 172.0
[M+HCOO]- 420.20440 200.1
[M+CH3COO]- 434.22005 207.3
[M+Na-2H]- 396.18087 178.8
[M]+ 375.20565 177.6
[M]- 375.20675 177.6
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