CID 15959247

Benzotriazole ester, 18

Structural Information

Molecular Formula
C16H16N4O
SMILES
CN(C)C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C16H16N4O/c1-19(2)13-9-7-12(8-10-13)16(21)11-20-15-6-4-3-5-14(15)17-18-20/h3-10H,11H2,1-2H3
InChIKey
ARWVNIIKICSUOA-UHFFFAOYSA-N
Compound name
2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.13242 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 164.4
[M+Na]+ 303.12164 173.4
[M-H]- 279.12514 170.1
[M+NH4]+ 298.16624 179.2
[M+K]+ 319.09558 169.4
[M+H-H2O]+ 263.12968 154.2
[M+HCOO]- 325.13062 187.0
[M+CH3COO]- 339.14627 176.4
[M+Na-2H]- 301.10709 170.0
[M]+ 280.13187 168.1
[M]- 280.13297 168.1
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.