CID 3087490

114842-36-3

Structural Information

Molecular Formula
C19H21N3O
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)NC5CC5
InChI
InChI=1S/C19H21N3O/c1-22-10-12(19(23)21-13-5-6-13)7-15-14-3-2-4-16-18(14)11(9-20-16)8-17(15)22/h2-4,7,9,12-13,17,20H,5-6,8,10H2,1H3,(H,21,23)/t12-,17-/m1/s1
InChIKey
ABNLQGQYBBBZQO-SJKOYZFVSA-N
Compound name
(6aR,9R)-N-cyclopropyl-7-methyl-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

2
Patents

307.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 172.8
[M+Na]+ 330.15768 181.9
[M-H]- 306.16118 177.5
[M+NH4]+ 325.20228 184.3
[M+K]+ 346.13162 173.7
[M+H-H2O]+ 290.16572 164.7
[M+HCOO]- 352.16666 187.6
[M+CH3COO]- 366.18231 182.1
[M+Na-2H]- 328.14313 176.3
[M]+ 307.16791 173.2
[M]- 307.16901 173.2
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