CID 408239

Chembl86857

Structural Information

Molecular Formula
C30H36N6O2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)NC(=O)CCCCCCCCC(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N)N
InChI
InChI=1S/C30H36N6O2/c1-19-15-25(31)23-17-21(11-13-27(23)33-19)35-29(37)9-7-5-3-4-6-8-10-30(38)36-22-12-14-28-24(18-22)26(32)16-20(2)34-28/h11-18H,3-10H2,1-2H3,(H2,31,33)(H2,32,34)(H,35,37)(H,36,38)
InChIKey
WEZNVJMYBLKULU-UHFFFAOYSA-N
Compound name
N,N'-bis(4-amino-2-methylquinolin-6-yl)decanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

512.29 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.29728 229.9
[M+Na]+ 535.27922 234.2
[M-H]- 511.28272 234.2
[M+NH4]+ 530.32382 233.8
[M+K]+ 551.25316 227.0
[M+H-H2O]+ 495.28726 217.5
[M+HCOO]- 557.28820 247.9
[M+CH3COO]- 571.30385 259.8
[M+Na-2H]- 533.26467 231.3
[M]+ 512.28945 231.9
[M]- 512.29055 231.9
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.