CID 11609586

Serdemetan

Structural Information

Molecular Formula
C21H20N4
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4
InChI
InChI=1S/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)
InChIKey
CEGSUKYESLWKJP-UHFFFAOYSA-N
Compound name
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

559
Patents

328.1688 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17608 179.6
[M+Na]+ 351.15802 195.1
[M+NH4]+ 346.20262 188.2
[M+K]+ 367.13196 186.9
[M-H]- 327.16152 187.1
[M+Na-2H]- 349.14347 191.2
[M]+ 328.16825 184.1
[M]- 328.16935 184.1
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