CID 366491

Nsc635037

Structural Information

Molecular Formula
C28H30N4
SMILES
CC(C)CC1=C(N=C(C(=N1)C2=CC3=CC=CC=C3N2)CC(C)C)C4=CC5=CC=CC=C5N4
InChI
InChI=1S/C28H30N4/c1-17(2)13-23-27(25-15-19-9-5-7-11-21(19)29-25)32-24(14-18(3)4)28(31-23)26-16-20-10-6-8-12-22(20)30-26/h5-12,15-18,29-30H,13-14H2,1-4H3
InChIKey
QUVYNRAMIIZVLY-UHFFFAOYSA-N
Compound name
2-[5-(1H-indol-2-yl)-3,6-bis(2-methylpropyl)pyrazin-2-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.24704 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.25432 207.9
[M+Na]+ 445.23626 216.7
[M-H]- 421.23976 213.2
[M+NH4]+ 440.28086 216.9
[M+K]+ 461.21020 206.7
[M+H-H2O]+ 405.24430 197.2
[M+HCOO]- 467.24524 222.1
[M+CH3COO]- 481.26089 215.6
[M+Na-2H]- 443.22171 205.6
[M]+ 422.24649 210.2
[M]- 422.24759 210.2
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.