CID 56843548

73385-01-0

Structural Information

Molecular Formula
C24H17N3O2
SMILES
C1=CC2=C3C(=C1)N=C4C5=CC=CC6=C(C=CC(=C65)C(=O)N4C3=CC=C2)NCCO
InChI
InChI=1S/C24H17N3O2/c28-13-12-25-18-11-10-17-22-15(18)6-3-7-16(22)23-26-19-8-1-4-14-5-2-9-20(21(14)19)27(23)24(17)29/h1-11,25,28H,12-13H2
InChIKey
KQDWSSLRBJDNPY-UHFFFAOYSA-N
Compound name
7-(2-hydroxyethylamino)-2,14-diazahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),4(24),5,7,9,11,13,15,17,19(23),20-undecaen-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

379.13208 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13936 191.4
[M+Na]+ 402.12130 211.8
[M+NH4]+ 397.16590 201.4
[M+K]+ 418.09524 199.9
[M-H]- 378.12480 196.9
[M+Na-2H]- 400.10675 198.3
[M]+ 379.13153 196.4
[M]- 379.13263 196.4
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.