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

3
Patents

307.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.175736 172.8
[M+Na]+ 330.157678 181.9
[M-H]- 306.161184 177.5
[M+NH4]+ 325.202283 184.3
[M+K]+ 346.131618 173.7
[M+H-H2O]+ 290.165720 164.7
[M+HCOO]- 352.166661 187.6
[M+CH3COO]- 366.182311 182.1
[M+Na-2H]- 328.143126 176.3
[M]+ 307.16791142 173.2
[M]- 307.16900858 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