CID 408514

Nsc13726

Structural Information

Molecular Formula
C29H32N4O2
SMILES
CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)N5CCOCC5)N6CCOCC6
InChI
InChI=1S/C29H32N4O2/c1-20-15-28(32-7-11-34-12-8-32)30-26-5-3-22(18-24(20)26)17-23-4-6-27-25(19-23)21(2)16-29(31-27)33-9-13-35-14-10-33/h3-6,15-16,18-19H,7-14,17H2,1-2H3
InChIKey
SVIZVCWUPRZEPR-UHFFFAOYSA-N
Compound name
4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

468.25253 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.25981 223.3
[M+Na]+ 491.24175 228.5
[M-H]- 467.24525 231.2
[M+NH4]+ 486.28635 223.5
[M+K]+ 507.21569 221.8
[M+H-H2O]+ 451.24979 206.2
[M+HCOO]- 513.25073 229.0
[M+CH3COO]- 527.26638 227.8
[M+Na-2H]- 489.22720 223.3
[M]+ 468.25198 219.2
[M]- 468.25308 219.2
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