CID 3048719

63938-25-0

Structural Information

Molecular Formula
C23H23N3O2
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)NOCC5=CC=CC=C5
InChI
InChI=1S/C23H23N3O2/c1-26-13-17(23(27)25-28-14-15-6-3-2-4-7-15)10-19-18-8-5-9-20-22(18)16(12-24-20)11-21(19)26/h2-10,12,17,21,24H,11,13-14H2,1H3,(H,25,27)/t17-,21-/m1/s1
InChIKey
DNKCQSVUEVTFGH-DYESRHJHSA-N
Compound name
(6aR,9R)-7-methyl-N-phenylmethoxy-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.17902 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18630 187.3
[M+Na]+ 396.16824 193.4
[M-H]- 372.17174 191.5
[M+NH4]+ 391.21284 200.2
[M+K]+ 412.14218 186.3
[M+H-H2O]+ 356.17628 177.1
[M+HCOO]- 418.17722 201.9
[M+CH3COO]- 432.19287 195.6
[M+Na-2H]- 394.15369 191.3
[M]+ 373.17847 186.8
[M]- 373.17957 186.8
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.