CID 3012382

6h-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-8-[2-[2-methyl-4-(5-methyl-2-amino-3-pyridinyl)phenoxy]ethyl]-

Structural Information

Molecular Formula
C29H30N6O2
SMILES
CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)CCOC4=C(C=C(C=C4)C5=C(N=CC(=C5)C)N)C)C
InChI
InChI=1S/C29H30N6O2/c1-5-35-27-23(29(36)34(4)24-7-6-11-31-28(24)35)15-20(17-33-27)10-12-37-25-9-8-21(14-19(25)3)22-13-18(2)16-32-26(22)30/h6-9,11,13-17H,5,10,12H2,1-4H3,(H2,30,32)
InChIKey
GNYYNOIQFLGAQB-UHFFFAOYSA-N
Compound name
13-[2-[4-(2-amino-5-methylpyridin-3-yl)-2-methylphenoxy]ethyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.243 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.25028 236.1
[M+Na]+ 517.23222 245.8
[M-H]- 493.23572 242.5
[M+NH4]+ 512.27682 238.3
[M+K]+ 533.20616 241.6
[M+H-H2O]+ 477.24026 221.1
[M+HCOO]- 539.24120 247.8
[M+CH3COO]- 553.25685 241.6
[M+Na-2H]- 515.21767 235.9
[M]+ 494.24245 236.6
[M]- 494.24355 236.6
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.