CID 15959238

Benzotriazole ester, 6

Structural Information

Molecular Formula
C17H18N4O2
SMILES
CCN(CC)C1=CC=C(C=C1)C(=O)ON2C3=CC=CC=C3N=N2
InChI
InChI=1S/C17H18N4O2/c1-3-20(4-2)14-11-9-13(10-12-14)17(22)23-21-16-8-6-5-7-15(16)18-19-21/h5-12H,3-4H2,1-2H3
InChIKey
UMVUTRLLCXJRMI-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl 4-(diethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

310.14297 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15025 172.1
[M+Na]+ 333.13219 180.5
[M-H]- 309.13569 177.6
[M+NH4]+ 328.17679 185.7
[M+K]+ 349.10613 177.0
[M+H-H2O]+ 293.14023 161.6
[M+HCOO]- 355.14117 194.5
[M+CH3COO]- 369.15682 210.3
[M+Na-2H]- 331.11764 177.2
[M]+ 310.14242 177.4
[M]- 310.14352 177.4
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

No patent data available for this compound.