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 187.7
[M+Na]+ 397.19988 192.3
[M-H]- 373.20338 190.4
[M+NH4]+ 392.24448 198.6
[M+K]+ 413.17382 184.1
[M+H-H2O]+ 357.20792 176.4
[M+HCOO]- 419.20886 199.3
[M+CH3COO]- 433.22451 194.6
[M+Na-2H]- 395.18533 190.9
[M]+ 374.21011 182.7
[M]- 374.21121 182.7
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.