CID 71739

Carazolol

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O
InChI
InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3
InChIKey
BQXQGZPYHWWCEB-UHFFFAOYSA-N
Compound name
1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

157
References

5466
Patents

298.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 170.2
[M+Na]+ 321.15734 176.6
[M-H]- 297.16084 171.6
[M+NH4]+ 316.20194 186.3
[M+K]+ 337.13128 171.4
[M+H-H2O]+ 281.16538 163.0
[M+HCOO]- 343.16632 188.7
[M+CH3COO]- 357.18197 203.8
[M+Na-2H]- 319.14279 174.1
[M]+ 298.16757 171.5
[M]- 298.16867 171.5
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

patents stripe