CID 15959245

Benzotriazole ester, 16

Structural Information

Molecular Formula
C14H14N4O
SMILES
C1=CC=C2C(=C1)N=NN2CC(C3=CC=C(C=C3)N)O
InChI
InChI=1S/C14H14N4O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8,14,19H,9,15H2
InChIKey
OBFQUALJHCJLCJ-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.11676 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12404 156.2
[M+Na]+ 277.10598 165.4
[M-H]- 253.10948 158.9
[M+NH4]+ 272.15058 170.7
[M+K]+ 293.07992 159.9
[M+H-H2O]+ 237.11402 147.0
[M+HCOO]- 299.11496 176.8
[M+CH3COO]- 313.13061 167.6
[M+Na-2H]- 275.09143 162.3
[M]+ 254.11621 156.0
[M]- 254.11731 156.0
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.