CID 15959249

Benzotriazole ester, 20

Structural Information

Molecular Formula
C16H18N4O
SMILES
CN(C)C1=CC=C(C=C1)C(CN2C3=CC=CC=C3N=N2)O
InChI
InChI=1S/C16H18N4O/c1-19(2)13-9-7-12(8-10-13)16(21)11-20-15-6-4-3-5-14(15)17-18-20/h3-10,16,21H,11H2,1-2H3
InChIKey
NUSWVZRFMFNTTJ-UHFFFAOYSA-N
Compound name
2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.14807 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15535 165.2
[M+Na]+ 305.13729 173.5
[M-H]- 281.14079 169.5
[M+NH4]+ 300.18189 179.4
[M+K]+ 321.11123 169.3
[M+H-H2O]+ 265.14533 155.4
[M+HCOO]- 327.14627 186.2
[M+CH3COO]- 341.16192 176.5
[M+Na-2H]- 303.12274 170.5
[M]+ 282.14752 167.8
[M]- 282.14862 167.8
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.