CID 51628

Brn 4587659

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

0
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]+ 405.22850 196.1
[M+Na]+ 427.21044 200.8
[M-H]- 403.21394 198.9
[M+NH4]+ 422.25504 205.9
[M+K]+ 443.18438 193.3
[M+H-H2O]+ 387.21848 184.8
[M+HCOO]- 449.21942 207.4
[M+CH3COO]- 463.23507 202.7
[M+Na-2H]- 425.19589 198.2
[M]+ 404.22067 193.1
[M]- 404.22177 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.