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]+ 416.19688 201.6
[M+Na]+ 438.17882 208.1
[M-H]- 414.18232 210.2
[M+NH4]+ 433.22342 210.3
[M+K]+ 454.15276 202.3
[M+H-H2O]+ 398.18686 189.5
[M+HCOO]- 460.18780 223.4
[M+CH3COO]- 474.20345 210.4
[M+Na-2H]- 436.16427 206.0
[M]+ 415.18905 204.5
[M]- 415.19015 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.