CID 51630

Brn 4578957

Structural Information

Molecular Formula
C24H28N4O
SMILES
CC1=CC=C(C=C1)C(=O)NCCN2CCN3CC4=C(CC3C2)C5=CC=CC=C5N4
InChI
InChI=1S/C24H28N4O/c1-17-6-8-18(9-7-17)24(29)25-10-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-2-3-5-22(20)26-23/h2-9,19,26H,10-16H2,1H3,(H,25,29)
InChIKey
BQBAZUHDBVHMNU-UHFFFAOYSA-N
Compound name
4-methyl-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

388.22632 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.23360 196.8
[M+Na]+ 411.21554 210.0
[M+NH4]+ 406.26014 204.7
[M+K]+ 427.18948 202.8
[M-H]- 387.21904 201.1
[M+Na-2H]- 409.20099 201.2
[M]+ 388.22577 199.8
[M]- 388.22687 199.8
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.