CID 86572607

Homolupinanoyl

Structural Information

Molecular Formula
C24H28N4O
SMILES
C1CCN2CCC[C@H]([C@H]2C1)CC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C24H28N4O/c29-23(16-18-6-5-15-28-14-4-3-9-22(18)28)25-19-12-10-17(11-13-19)24-26-20-7-1-2-8-21(20)27-24/h1-2,7-8,10-13,18,22H,3-6,9,14-16H2,(H,25,29)(H,26,27)/t18-,22+/m0/s1
InChIKey
FYALUGNDDOABTM-PGRDOPGGSA-N
Compound name
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[4-(1H-benzimidazol-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.22632 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.23360 192.2
[M+Na]+ 411.21554 195.3
[M-H]- 387.21904 196.7
[M+NH4]+ 406.26014 201.1
[M+K]+ 427.18948 187.2
[M+H-H2O]+ 371.22358 180.1
[M+HCOO]- 433.22452 203.7
[M+CH3COO]- 447.24017 198.5
[M+Na-2H]- 409.20099 193.3
[M]+ 388.22577 184.7
[M]- 388.22687 184.7
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.