CID 3067409

Brn 6005841

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CNC(=O)N(C)C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
InChI
InChI=1S/C19H24N4O2/c1-20-19(25)23(3)18(24)12-7-14-13-5-4-6-15-17(13)11(9-21-15)8-16(14)22(2)10-12/h4-6,9,12,14,16,21H,7-8,10H2,1-3H3,(H,20,25)/t12-,14?,16-/m1/s1
InChIKey
XIRNJQAQAMGOOZ-QXDOLYAVSA-N
Compound name
(6aR,9R)-N,7-dimethyl-N-(methylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1899 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.197176 180.1
[M+Na]+ 363.179118 185.2
[M-H]- 339.182624 182.4
[M+NH4]+ 358.223723 195.4
[M+K]+ 379.153058 181.2
[M+H-H2O]+ 323.187160 171.8
[M+HCOO]- 385.188101 194.1
[M+CH3COO]- 399.203751 188.8
[M+Na-2H]- 361.164566 182.0
[M]+ 340.18935142 178.7
[M]- 340.19044858 178.7
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.