CID 3010686

1-naphthaleneacetic acid, 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]-, hydrazide

Structural Information

Molecular Formula
C28H28N6O3
SMILES
CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)CCOC4=CC=C(C5=CC=CC=C54)CC(=O)NN)C
InChI
InChI=1S/C28H28N6O3/c1-3-34-26-22(28(36)33(2)23-9-6-13-30-27(23)34)15-18(17-31-26)12-14-37-24-11-10-19(16-25(35)32-29)20-7-4-5-8-21(20)24/h4-11,13,15,17H,3,12,14,16,29H2,1-2H3,(H,32,35)
InChIKey
QQPFHFXWOYFUKF-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]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.2223 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.22958 227.8
[M+Na]+ 519.21152 235.2
[M-H]- 495.21502 232.9
[M+NH4]+ 514.25612 231.5
[M+K]+ 535.18546 232.8
[M+H-H2O]+ 479.21956 214.6
[M+HCOO]- 541.22050 240.4
[M+CH3COO]- 555.23615 233.2
[M+Na-2H]- 517.19697 230.8
[M]+ 496.22175 227.8
[M]- 496.22285 227.8
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.