CID 16073084

Zinc 1-(9-anthryl)-n,n-bis(1,2-dihydropyridin-6-ylmethyl)methanamine

Structural Information

Molecular Formula
C27H27N3
SMILES
C1C=CC=C(N1)CN(CC2=CC=CCN2)CC3=C4C=CC=CC4=CC5=CC=CC=C53
InChI
InChI=1S/C27H27N3/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/h1-14,17,28-29H,15-16,18-20H2
InChIKey
LDNZPPWFZWWEEJ-UHFFFAOYSA-N
Compound name
N-(anthracen-9-ylmethyl)-1-(1,2-dihydropyridin-6-yl)-N-(1,2-dihydropyridin-6-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.2205 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.22778 194.2
[M+Na]+ 416.20972 197.9
[M-H]- 392.21322 199.6
[M+NH4]+ 411.25432 202.1
[M+K]+ 432.18366 188.3
[M+H-H2O]+ 376.21776 181.4
[M+HCOO]- 438.21870 208.7
[M+CH3COO]- 452.23435 200.8
[M+Na-2H]- 414.19517 200.6
[M]+ 393.21995 189.1
[M]- 393.22105 189.1
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.