CID 42510

Binedaline

Structural Information

Molecular Formula
C19H23N3
SMILES
CN(C)CCN(C)N1C=C(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C19H23N3/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22/h4-12,15H,13-14H2,1-3H3
InChIKey
SXYFFMXPDDGOEK-UHFFFAOYSA-N
Compound name
N,N,N'-trimethyl-N'-(3-phenylindol-1-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

2112
Patents

293.1892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19648 171.1
[M+Na]+ 316.17842 178.1
[M-H]- 292.18192 180.2
[M+NH4]+ 311.22302 188.7
[M+K]+ 332.15236 174.7
[M+H-H2O]+ 276.18646 161.5
[M+HCOO]- 338.18740 197.5
[M+CH3COO]- 352.20305 215.6
[M+Na-2H]- 314.16387 175.8
[M]+ 293.18865 175.2
[M]- 293.18975 175.2
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