CID 366492

Nsc635038

Structural Information

Molecular Formula
C14H13N3
SMILES
CC1=CN=C(C(=N1)C2=CC3=CC=CC=C3N2)C
InChI
InChI=1S/C14H13N3/c1-9-8-15-10(2)14(16-9)13-7-11-5-3-4-6-12(11)17-13/h3-8,17H,1-2H3
InChIKey
VNAFYMAPFYSTKW-UHFFFAOYSA-N
Compound name
2-(3,6-dimethylpyrazin-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11095 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 150.1
[M+Na]+ 246.10017 161.7
[M-H]- 222.10367 153.5
[M+NH4]+ 241.14477 167.0
[M+K]+ 262.07411 155.4
[M+H-H2O]+ 206.10821 141.5
[M+HCOO]- 268.10915 171.0
[M+CH3COO]- 282.12480 162.9
[M+Na-2H]- 244.08562 156.7
[M]+ 223.11040 151.1
[M]- 223.11150 151.1
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.