CID 4252043

206752-41-2

Structural Information

Molecular Formula
C17H24N5O
SMILES
C1CCN(CC1)C(=[N+]2CCCCC2)ON3C4=CC=CC=C4N=N3
InChI
InChI=1S/C17H24N5O/c1-5-11-20(12-6-1)17(21-13-7-2-8-14-21)23-22-16-10-4-3-9-15(16)18-19-22/h3-4,9-10H,1-2,5-8,11-14H2/q+1
InChIKey
DPXIXKZNWRNWIO-UHFFFAOYSA-N
Compound name
1-[piperidin-1-ium-1-ylidene(piperidin-1-yl)methoxy]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

314.1981 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20538 177.8
[M+Na]+ 337.18732 180.9
[M-H]- 313.19082 180.1
[M+NH4]+ 332.23192 186.4
[M+K]+ 353.16126 170.2
[M+H-H2O]+ 297.19536 167.0
[M+HCOO]- 359.19630 187.8
[M+CH3COO]- 373.21195 184.4
[M+Na-2H]- 335.17277 181.7
[M]+ 314.19755 168.9
[M]- 314.19865 168.9
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