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]+ 327.14918 177.0
[M+Na]+ 349.13112 187.3
[M-H]- 325.13462 182.9
[M+NH4]+ 344.17572 192.2
[M+K]+ 365.10506 178.3
[M+H-H2O]+ 309.13916 167.0
[M+HCOO]- 371.14010 194.5
[M+CH3COO]- 385.15575 187.6
[M+Na-2H]- 347.11657 182.8
[M]+ 326.14135 176.9
[M]- 326.14245 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.