CID 3069829

Brn 6009687

Structural Information

Molecular Formula
C21H26N4O2
SMILES
CCNC(=O)NC(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C
InChI
InChI=1S/C21H26N4O2/c1-3-8-25-12-14(20(26)24-21(27)22-4-2)9-16-15-6-5-7-17-19(15)13(11-23-17)10-18(16)25/h3,5-7,11,14,16,18,23H,1,4,8-10,12H2,2H3,(H2,22,24,26,27)/t14-,16?,18-/m1/s1
InChIKey
HYTACFHZYYMEQS-OXPKRCOGSA-N
Compound name
(6aR,9R)-N-(ethylcarbamoyl)-7-prop-2-enyl-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

2
Patents

366.20557 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21285 187.9
[M+Na]+ 389.19479 196.8
[M+NH4]+ 384.23939 194.2
[M+K]+ 405.16873 192.1
[M-H]- 365.19829 188.7
[M+Na-2H]- 387.18024 187.8
[M]+ 366.20502 188.9
[M]- 366.20612 188.9
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