CID 11507920

N~3~-[3-(1h-indol-6-yl)benzyl]pyridine-2,3-diamine

Structural Information

Molecular Formula
C20H18N4
SMILES
C1=CC(=CC(=C1)C2=CC3=C(C=C2)C=CN3)CNC4=C(N=CC=C4)N
InChI
InChI=1S/C20H18N4/c21-20-18(5-2-9-23-20)24-13-14-3-1-4-16(11-14)17-7-6-15-8-10-22-19(15)12-17/h1-12,22,24H,13H2,(H2,21,23)
InChIKey
LPQUIIHPUGDHJK-UHFFFAOYSA-N
Compound name
3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

314.15314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16042 171.3
[M+Na]+ 337.14236 179.6
[M-H]- 313.14586 178.3
[M+NH4]+ 332.18696 184.1
[M+K]+ 353.11630 171.2
[M+H-H2O]+ 297.15040 161.3
[M+HCOO]- 359.15134 194.2
[M+CH3COO]- 373.16699 181.9
[M+Na-2H]- 335.12781 177.8
[M]+ 314.15259 169.1
[M]- 314.15369 169.1
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