CID 3074019

Mf 256

Structural Information

Molecular Formula
C28H48N4O2
SMILES
CCCN(CCC)CCCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN3C)C)C
InChI
InChI=1S/C28H48N4O2/c1-6-18-32(19-7-2)20-13-11-9-8-10-12-17-29-27(33)34-23-14-15-25-24(22-23)28(3)16-21-30(4)26(28)31(25)5/h14-15,22,26H,6-13,16-21H2,1-5H3,(H,29,33)/t26-,28+/m1/s1
InChIKey
UXCFQYWYUVLGBQ-IAPPQJPRSA-N
Compound name
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-[8-(dipropylamino)octyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.37772 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.38500 223.5
[M+Na]+ 495.36694 228.9
[M+NH4]+ 490.41154 229.7
[M+K]+ 511.34088 223.3
[M-H]- 471.37044 224.0
[M+Na-2H]- 493.35239 222.9
[M]+ 472.37717 224.0
[M]- 472.37827 224.0
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.