CID 3043535

Brn 1137736

Structural Information

Molecular Formula
C12H19N5O2
SMILES
CC1=C(N=C2C(=N1)N=C(N2C)N(CCO)CCO)C
InChI
InChI=1S/C12H19N5O2/c1-8-9(2)14-11-10(13-8)15-12(16(11)3)17(4-6-18)5-7-19/h18-19H,4-7H2,1-3H3
InChIKey
AFYNVMYHLKXZSO-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-(3,5,6-trimethylimidazo[4,5-b]pyrazin-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.15387 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16115 162.6
[M+Na]+ 288.14309 173.0
[M-H]- 264.14659 161.8
[M+NH4]+ 283.18769 176.6
[M+K]+ 304.11703 169.5
[M+H-H2O]+ 248.15113 154.0
[M+HCOO]- 310.15207 181.8
[M+CH3COO]- 324.16772 200.7
[M+Na-2H]- 286.12854 166.6
[M]+ 265.15332 167.8
[M]- 265.15442 167.8
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.