CID 51631

Brn 4570447

Structural Information

Molecular Formula
C23H26N4O
SMILES
C1CN2CC3=C(CC2CN1CCNC(=O)C4=CC=CC=C4)C5=CC=CC=C5N3
InChI
InChI=1S/C23H26N4O/c28-23(17-6-2-1-3-7-17)24-10-11-26-12-13-27-16-22-20(14-18(27)15-26)19-8-4-5-9-21(19)25-22/h1-9,18,25H,10-16H2,(H,24,28)
InChIKey
GAUKOIAUVRRGOI-UHFFFAOYSA-N
Compound name
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

0
References

0
Patents

374.21066 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.21794 192.0
[M+Na]+ 397.19988 205.0
[M+NH4]+ 392.24448 200.1
[M+K]+ 413.17382 197.9
[M-H]- 373.20338 196.3
[M+Na-2H]- 395.18533 196.9
[M]+ 374.21011 194.9
[M]- 374.21121 194.9
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.