CID 3080042

Brn 4267860

Structural Information

Molecular Formula
C22H18N2O
SMILES
C1CC2=C(C=CC(=O)N2CC3=CC=CC=C3)C4=C1C5=CC=CC=C5N4
InChI
InChI=1S/C22H18N2O/c25-21-13-11-18-20(24(21)14-15-6-2-1-3-7-15)12-10-17-16-8-4-5-9-19(16)23-22(17)18/h1-9,11,13,23H,10,12,14H2
InChIKey
CGMSERCZXNLENV-UHFFFAOYSA-N
Compound name
4-benzyl-6,11-dihydro-5H-pyrido[3,2-a]carbazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1419 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.149176 177.0
[M+Na]+ 349.131118 187.3
[M-H]- 325.134624 182.9
[M+NH4]+ 344.175723 192.2
[M+K]+ 365.105058 178.3
[M+H-H2O]+ 309.139160 167.0
[M+HCOO]- 371.140101 194.5
[M+CH3COO]- 385.155751 187.6
[M+Na-2H]- 347.116566 182.8
[M]+ 326.14135142 176.9
[M]- 326.14244858 176.9
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

No patent data available for this compound.