CID 5273831

N-(1-benzotriazolecarbonyl)-d-phenylglycine piperidineamide

Structural Information

Molecular Formula
C21H22N6O3
SMILES
C1CCN(CC1)C(=O)NC(=O)CN(C2=CC=CC=C2)C(=O)N3C4=CC=CC=C4N=N3
InChI
InChI=1S/C21H22N6O3/c28-19(22-20(29)25-13-7-2-8-14-25)15-26(16-9-3-1-4-10-16)21(30)27-18-12-6-5-11-17(18)23-24-27/h1,3-6,9-12H,2,7-8,13-15H2,(H,22,28,29)
InChIKey
UZXJFFMOYWVCTJ-UHFFFAOYSA-N
Compound name
N-[2-oxo-2-(piperidine-1-carbonylamino)ethyl]-N-phenylbenzotriazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.17532 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18260 191.9
[M+Na]+ 429.16454 194.6
[M-H]- 405.16804 197.9
[M+NH4]+ 424.20914 198.3
[M+K]+ 445.13848 190.9
[M+H-H2O]+ 389.17258 179.3
[M+HCOO]- 451.17352 208.1
[M+CH3COO]- 465.18917 199.0
[M+Na-2H]- 427.14999 194.5
[M]+ 406.17477 189.6
[M]- 406.17587 189.6
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

No patent data available for this compound.