CID 3074015

Mf 230

Structural Information

Molecular Formula
C27H45N5O2
SMILES
C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NCCCCCCCCN4CCN(CC4)C)C)C
InChI
InChI=1S/C27H45N5O2/c1-27-13-16-30(3)25(27)31(4)24-12-11-22(21-23(24)27)34-26(33)28-14-9-7-5-6-8-10-15-32-19-17-29(2)18-20-32/h11-12,21,25H,5-10,13-20H2,1-4H3,(H,28,33)/t25-,27+/m1/s1
InChIKey
HQJQIXPHVJANRK-VPUSJEBWSA-N
Compound name
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-[8-(4-methylpiperazin-1-yl)octyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.35733 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.36461 222.2
[M+Na]+ 494.34655 229.2
[M+NH4]+ 489.39115 228.3
[M+K]+ 510.32049 223.9
[M-H]- 470.35005 223.1
[M+Na-2H]- 492.33200 222.2
[M]+ 471.35678 223.1
[M]- 471.35788 223.1
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.