CID 11565518

Wz 811

Structural Information

Molecular Formula
C18H18N4
SMILES
C1=CC=NC(=C1)NCC2=CC=C(C=C2)CNC3=CC=CC=N3
InChI
InChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22)
InChIKey
KBVFRXIGQQRMEF-UHFFFAOYSA-N
Compound name
N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

60
Patents

290.15314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16042 166.5
[M+Na]+ 313.14236 171.9
[M-H]- 289.14586 172.8
[M+NH4]+ 308.18696 177.7
[M+K]+ 329.11630 165.4
[M+H-H2O]+ 273.15040 155.2
[M+HCOO]- 335.15134 190.1
[M+CH3COO]- 349.16699 176.6
[M+Na-2H]- 311.12781 175.7
[M]+ 290.15259 164.2
[M]- 290.15369 164.2
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