CID 11329898

Schembl1638037

Structural Information

Molecular Formula
C24H16Cl2N6O4
SMILES
CCN1C2=CC3=C(C=C2NC1=O)N=C4C(=C(C5=NC6=C(C=C7C(=C6)NC(=O)N7CC)OC5=C4Cl)Cl)O3
InChI
InChI=1S/C24H16Cl2N6O4/c1-3-31-13-7-15-11(5-9(13)29-23(31)33)27-19-18(26)22-20(17(25)21(19)35-15)28-12-6-10-14(8-16(12)36-22)32(4-2)24(34)30-10/h5-8H,3-4H2,1-2H3,(H,29,33)(H,30,34)
InChIKey
OSBUXLMNFNCSKH-UHFFFAOYSA-N
Compound name
2,16-dichloro-8,22-diethyl-4,18-dioxa-8,10,14,22,24,28-hexazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1(28),2,5(13),6,11,14,16,19(27),20,25-decaene-9,23-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

522.06104 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.06832 227.1
[M+Na]+ 545.05026 248.7
[M+NH4]+ 540.09486 233.4
[M+K]+ 561.02420 242.6
[M-H]- 521.05376 231.5
[M+Na-2H]- 543.03571 227.0
[M]+ 522.06049 232.4
[M]- 522.06159 232.4
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

patents stripe