CID 15959243

Benzotriazole ester, 14

Structural Information

Molecular Formula
C18H20N4O
SMILES
CCN(CC)C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C18H20N4O/c1-3-21(4-2)15-11-9-14(10-12-15)18(23)13-22-17-8-6-5-7-16(17)19-20-22/h5-12H,3-4,13H2,1-2H3
InChIKey
WRMOHNVAGALKPX-UHFFFAOYSA-N
Compound name
2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.1637 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17098 173.6
[M+Na]+ 331.15292 181.7
[M-H]- 307.15642 178.8
[M+NH4]+ 326.19752 187.2
[M+K]+ 347.12686 177.2
[M+H-H2O]+ 291.16096 163.0
[M+HCOO]- 353.16190 195.4
[M+CH3COO]- 367.17755 184.6
[M+Na-2H]- 329.13837 178.1
[M]+ 308.16315 177.9
[M]- 308.16425 177.9
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

No patent data available for this compound.