CID 5069188

O-(benzotriazol-1-yl)-n,n,n',n'-bis(tetramethylene)uronium hexafluorophosphate

Structural Information

Molecular Formula
C15H20N5O
SMILES
C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3
InChI
InChI=1S/C15H20N5O/c1-2-8-14-13(7-1)16-17-20(14)21-15(18-9-3-4-10-18)19-11-5-6-12-19/h1-2,7-8H,3-6,9-12H2/q+1
InChIKey
WWLPQAXROLNWNV-UHFFFAOYSA-N
Compound name
1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

286.16678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17406 167.9
[M+Na]+ 309.15600 173.6
[M-H]- 285.15950 172.6
[M+NH4]+ 304.20060 181.9
[M+K]+ 325.12994 165.2
[M+H-H2O]+ 269.16404 159.2
[M+HCOO]- 331.16498 183.6
[M+CH3COO]- 345.18063 177.3
[M+Na-2H]- 307.14145 168.8
[M]+ 286.16623 163.4
[M]- 286.16733 163.4
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