CID 10079224

Adpa

Structural Information

Molecular Formula
C27H23N3
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CN(CC4=CC=CC=N4)CC5=CC=CC=N5
InChI
InChI=1S/C27H23N3/c1-3-13-25-21(9-1)17-22-10-2-4-14-26(22)27(25)20-30(18-23-11-5-7-15-28-23)19-24-12-6-8-16-29-24/h1-17H,18-20H2
InChIKey
AMDZJULAHPGTEZ-UHFFFAOYSA-N
Compound name
N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

389.1892 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19648 197.8
[M+Na]+ 412.17842 217.9
[M+NH4]+ 407.22302 207.8
[M+K]+ 428.15236 204.9
[M-H]- 388.18192 207.6
[M+Na-2H]- 410.16387 211.8
[M]+ 389.18865 204.0
[M]- 389.18975 204.0
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

patents stripe