CID 57350126

Ethanone, 1-[9-ethyl-6-(2-methylbenzoyl)-9h-carbazol-3-yl]-, 1-(o-acetyloxime)

Structural Information

Molecular Formula
C26H24N2O3
SMILES
CCN1C2=C(C=C(C=C2)C(=NOC(=O)C)C)C3=C1C=CC(=C3)C(=O)C4=CC=CC=C4C
InChI
InChI=1S/C26H24N2O3/c1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h6-15H,5H2,1-4H3
InChIKey
SEEVRZDUPHZSOX-UHFFFAOYSA-N
Compound name
[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6971
Patents

412.17868 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 202.8
[M+Na]+ 435.16790 210.9
[M-H]- 411.17140 211.8
[M+NH4]+ 430.21250 216.0
[M+K]+ 451.14184 205.7
[M+H-H2O]+ 395.17594 193.1
[M+HCOO]- 457.17688 223.6
[M+CH3COO]- 471.19253 233.7
[M+Na-2H]- 433.15335 202.5
[M]+ 412.17813 209.1
[M]- 412.17923 209.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe