CID 3079832

Brn 6019477

Structural Information

Molecular Formula
C25H35N5O2
SMILES
CNC(=O)N(CCCN(C)C)C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C
InChI
InChI=1S/C25H35N5O2/c1-5-10-29-16-18(24(31)30(25(32)26-2)12-7-11-28(3)4)13-20-19-8-6-9-21-23(19)17(15-27-21)14-22(20)29/h5-6,8-9,15,18,20,22,27H,1,7,10-14,16H2,2-4H3,(H,26,32)/t18-,20?,22-/m1/s1
InChIKey
RQLIEIIKNXPZPE-HCNFZCTASA-N
Compound name
(6aR,9R)-N-[3-(dimethylamino)propyl]-N-(methylcarbamoyl)-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

0
Patents

437.27908 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.28636 208.2
[M+Na]+ 460.26830 209.7
[M-H]- 436.27180 210.5
[M+NH4]+ 455.31290 219.3
[M+K]+ 476.24224 205.6
[M+H-H2O]+ 420.27634 198.5
[M+HCOO]- 482.27728 221.6
[M+CH3COO]- 496.29293 245.1
[M+Na-2H]- 458.25375 207.2
[M]+ 437.27853 208.4
[M]- 437.27963 208.4
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.