CID 3010689

1-naphthaleneacetamide, 4-[2-(11-ethyl-6,11-dihydro-5-methyl-6-oxo-5h-dipyrido[2,3-e:3',2'-b][1,4]diazepin-8-yl)ethoxy]-

Structural Information

Molecular Formula
C28H27N5O3
SMILES
CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)CCOC4=CC=C(C5=CC=CC=C54)CC(=O)N)C
InChI
InChI=1S/C28H27N5O3/c1-3-33-26-22(28(35)32(2)23-9-6-13-30-27(23)33)15-18(17-31-26)12-14-36-24-11-10-19(16-25(29)34)20-7-4-5-8-21(20)24/h4-11,13,15,17H,3,12,14,16H2,1-2H3,(H2,29,34)
InChIKey
HISWILCPJYYMTN-UHFFFAOYSA-N
Compound name
2-[4-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]naphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.2114 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.21868 224.8
[M+Na]+ 504.20062 232.9
[M-H]- 480.20412 229.8
[M+NH4]+ 499.24522 229.3
[M+K]+ 520.17456 229.9
[M+H-H2O]+ 464.20866 211.9
[M+HCOO]- 526.20960 236.3
[M+CH3COO]- 540.22525 230.6
[M+Na-2H]- 502.18607 226.7
[M]+ 481.21085 225.2
[M]- 481.21195 225.2
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.