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]+ 341.19718 180.1
[M+Na]+ 363.17912 185.2
[M-H]- 339.18262 182.4
[M+NH4]+ 358.22372 195.4
[M+K]+ 379.15306 181.2
[M+H-H2O]+ 323.18716 171.8
[M+HCOO]- 385.18810 194.1
[M+CH3COO]- 399.20375 188.8
[M+Na-2H]- 361.16457 182.0
[M]+ 340.18935 178.7
[M]- 340.19045 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.