CID 848468

55635-70-6

Structural Information

Molecular Formula
C18H23N5O2
SMILES
CC1=C(N=C2C(=N1)N=C(N2C)NCCC3=CC(=C(C=C3)OC)OC)C
InChI
InChI=1S/C18H23N5O2/c1-11-12(2)21-17-16(20-11)22-18(23(17)3)19-9-8-13-6-7-14(24-4)15(10-13)25-5/h6-7,10H,8-9H2,1-5H3,(H,19,20,22)
InChIKey
HVYNUXBKWKUETH-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5,6-trimethylimidazo[4,5-b]pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.18518 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19246 184.6
[M+Na]+ 364.17440 196.1
[M-H]- 340.17790 188.5
[M+NH4]+ 359.21900 196.2
[M+K]+ 380.14834 190.6
[M+H-H2O]+ 324.18244 174.1
[M+HCOO]- 386.18338 205.4
[M+CH3COO]- 400.19903 218.2
[M+Na-2H]- 362.15985 187.8
[M]+ 341.18463 192.4
[M]- 341.18573 192.4
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.