CID 324707

Nsc290954

Structural Information

Molecular Formula
C25H25N3O3
SMILES
COC1=CC=C(C=C1)OC2=C(C=C(C3=C2C=CC=N3)NCC4=CC=C(C=C4)CN)OC
InChI
InChI=1S/C25H25N3O3/c1-29-19-9-11-20(12-10-19)31-25-21-4-3-13-27-24(21)22(14-23(25)30-2)28-16-18-7-5-17(15-26)6-8-18/h3-14,28H,15-16,26H2,1-2H3
InChIKey
CHWFXBQLQWJIOK-UHFFFAOYSA-N
Compound name
N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-5-(4-methoxyphenoxy)quinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.1896 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.196876 201.6
[M+Na]+ 438.178818 208.1
[M-H]- 414.182324 210.2
[M+NH4]+ 433.223423 210.3
[M+K]+ 454.152758 202.3
[M+H-H2O]+ 398.186860 189.5
[M+HCOO]- 460.187801 223.4
[M+CH3COO]- 474.203451 210.4
[M+Na-2H]- 436.164266 206.0
[M]+ 415.18905142 204.5
[M]- 415.19014858 204.5
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

No patent data available for this compound.