CID 44225262

Chembl556448

Structural Information

Molecular Formula
C24H27N3O2
SMILES
CC1=CC=C(C=C1)[C@H]2CN([C@@]3([C@@]24CN(CCC4=O)C)C5=CC=CC=C5NC3=O)C
InChI
InChI=1S/C24H27N3O2/c1-16-8-10-17(11-9-16)19-14-27(3)24(23(19)15-26(2)13-12-21(23)28)18-6-4-5-7-20(18)25-22(24)29/h4-11,19H,12-15H2,1-3H3,(H,25,29)/t19-,23+,24+/m1/s1
InChIKey
VBNWGUXUDFZPPI-YGOYIFOWSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

389.21033 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21761 198.7
[M+Na]+ 412.19955 207.5
[M-H]- 388.20305 205.7
[M+NH4]+ 407.24415 214.7
[M+K]+ 428.17349 199.5
[M+H-H2O]+ 372.20759 188.4
[M+HCOO]- 434.20853 210.2
[M+CH3COO]- 448.22418 207.2
[M+Na-2H]- 410.18500 195.0
[M]+ 389.20978 193.6
[M]- 389.21088 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.