CID 3010731

1-naphthalenepropanoic 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
C29H30N6O3
SMILES
CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)CCOC4=CC=C(C5=CC=CC=C54)CCC(=O)NN)C
InChI
InChI=1S/C29H30N6O3/c1-3-35-27-23(29(37)34(2)24-9-6-15-31-28(24)35)17-19(18-32-27)14-16-38-25-12-10-20(11-13-26(36)33-30)21-7-4-5-8-22(21)25/h4-10,12,15,17-18H,3,11,13-14,16,30H2,1-2H3,(H,33,36)
InChIKey
HDPYUCCVRRBUBW-UHFFFAOYSA-N
Compound name
3-[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]propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.23795 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.24523 231.7
[M+Na]+ 533.22717 238.6
[M-H]- 509.23067 236.7
[M+NH4]+ 528.27177 234.9
[M+K]+ 549.20111 236.1
[M+H-H2O]+ 493.23521 218.4
[M+HCOO]- 555.23615 244.0
[M+CH3COO]- 569.25180 236.7
[M+Na-2H]- 531.21262 234.2
[M]+ 510.23740 232.0
[M]- 510.23850 232.0
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.