CID 3010688

1-naphthaleneacetic acid, 4-[2-(11-ethyl-2-hydrazino-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
C28H30N8O3
SMILES
CCN1C2=C(C=CC(=N2)NN)N(C(=O)C3=C1N=CC(=C3)CCOC4=CC=C(C5=CC=CC=C54)CC(=O)NN)C
InChI
InChI=1S/C28H30N8O3/c1-3-36-26-21(28(38)35(2)22-9-11-24(33-29)32-27(22)36)14-17(16-31-26)12-13-39-23-10-8-18(15-25(37)34-30)19-6-4-5-7-20(19)23/h4-11,14,16H,3,12-13,15,29-30H2,1-2H3,(H,32,33)(H,34,37)
InChIKey
NZASCVUGYVTHOF-UHFFFAOYSA-N
Compound name
2-[4-[2-(2-ethyl-5-hydrazinyl-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

526.2441 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.25138 234.3
[M+Na]+ 549.23332 241.0
[M-H]- 525.23682 239.6
[M+NH4]+ 544.27792 236.6
[M+K]+ 565.20726 240.0
[M+H-H2O]+ 509.24136 221.0
[M+HCOO]- 571.24230 248.4
[M+CH3COO]- 585.25795 238.9
[M+Na-2H]- 547.21877 237.8
[M]+ 526.24355 233.2
[M]- 526.24465 233.2
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.