CID 3012469

4-[2-(11-ethyl-4-methyl-6-oxo-5h-dipyrido[[?],[?]][1,4]diazepin-8-yl)ethoxy]-3-methyl-benzohydrazide

Structural Information

Molecular Formula
C24H26N6O3
SMILES
CCN1C2=C(C=C(C=N2)CCOC3=C(C=C(C=C3)C(=O)NN)C)C(=O)NC4=C(C=CN=C41)C
InChI
InChI=1S/C24H26N6O3/c1-4-30-21-18(24(32)28-20-14(2)7-9-26-22(20)30)12-16(13-27-21)8-10-33-19-6-5-17(11-15(19)3)23(31)29-25/h5-7,9,11-13H,4,8,10,25H2,1-3H3,(H,28,32)(H,29,31)
InChIKey
NLWUWAFFSJFJGZ-UHFFFAOYSA-N
Compound name
4-[2-(2-ethyl-7-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl)ethoxy]-3-methylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.20663 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21391 215.3
[M+Na]+ 469.19585 222.8
[M-H]- 445.19935 219.0
[M+NH4]+ 464.24045 219.9
[M+K]+ 485.16979 221.3
[M+H-H2O]+ 429.20389 203.1
[M+HCOO]- 491.20483 228.4
[M+CH3COO]- 505.22048 221.4
[M+Na-2H]- 467.18130 216.9
[M]+ 446.20608 213.9
[M]- 446.20718 213.9
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.