CID 9543540

Bml-210

Structural Information

Molecular Formula
C20H25N3O2
SMILES
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NC2=CC=CC=C2N
InChI
InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)
InChIKey
RFLHBLWLFUFFDZ-UHFFFAOYSA-N
Compound name
N'-(2-aminophenyl)-N-phenyloctanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

1088
Patents

339.19467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20195 183.2
[M+Na]+ 362.18389 185.4
[M-H]- 338.18739 188.2
[M+NH4]+ 357.22849 194.8
[M+K]+ 378.15783 180.9
[M+H-H2O]+ 322.19193 173.6
[M+HCOO]- 384.19287 206.7
[M+CH3COO]- 398.20852 218.6
[M+Na-2H]- 360.16934 185.1
[M]+ 339.19412 181.6
[M]- 339.19522 181.6
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