CID 51628

Benzamide, n-(2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1h)-yl)ethyl)-4-methoxy-

Structural Information

Molecular Formula
C24H28N4O2
SMILES
COC1=CC=C(C=C1)C(=O)NCCN2CCN3CC4=C(CC3C2)C5=CC=CC=C5N4
InChI
InChI=1S/C24H28N4O2/c1-30-19-8-6-17(7-9-19)24(29)25-10-11-27-12-13-28-16-23-21(14-18(28)15-27)20-4-2-3-5-22(20)26-23/h2-9,18,26H,10-16H2,1H3,(H,25,29)
InChIKey
ZEURCBHOOPQIRW-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.22122 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.228496 196.1
[M+Na]+ 427.210438 200.8
[M-H]- 403.213944 198.9
[M+NH4]+ 422.255043 205.9
[M+K]+ 443.184378 193.3
[M+H-H2O]+ 387.218480 184.8
[M+HCOO]- 449.219421 207.4
[M+CH3COO]- 463.235071 202.7
[M+Na-2H]- 425.195886 198.2
[M]+ 404.22067142 193.1
[M]- 404.22176858 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.