CID 366490

Nsc635036

Structural Information

Molecular Formula
C20H25N3
SMILES
CC(C)CC1=CN=C(C(=N1)C2=CC3=CC=CC=C3N2)CC(C)C
InChI
InChI=1S/C20H25N3/c1-13(2)9-16-12-21-18(10-14(3)4)20(22-16)19-11-15-7-5-6-8-17(15)23-19/h5-8,11-14,23H,9-10H2,1-4H3
InChIKey
SPSIDAYCZCCEND-UHFFFAOYSA-N
Compound name
2-[3,6-bis(2-methylpropyl)pyrazin-2-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.20483 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21211 177.6
[M+Na]+ 330.19405 185.7
[M-H]- 306.19755 180.1
[M+NH4]+ 325.23865 190.8
[M+K]+ 346.16799 179.0
[M+H-H2O]+ 290.20209 168.0
[M+HCOO]- 352.20303 194.3
[M+CH3COO]- 366.21868 187.4
[M+Na-2H]- 328.17950 178.6
[M]+ 307.20428 179.3
[M]- 307.20538 179.3
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.