CID 3043533

Brn 1140950

Structural Information

Molecular Formula
C17H21N5
SMILES
CC1=C(N=C2C(=N1)N=C(N2C)NC(C)CC3=CC=CC=C3)C
InChI
InChI=1S/C17H21N5/c1-11(10-14-8-6-5-7-9-14)18-17-21-15-16(22(17)4)20-13(3)12(2)19-15/h5-9,11H,10H2,1-4H3,(H,18,19,21)
InChIKey
BVPNGRWZUQFJQY-UHFFFAOYSA-N
Compound name
3,5,6-trimethyl-N-(1-phenylpropan-2-yl)imidazo[4,5-b]pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1797 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18698 172.8
[M+Na]+ 318.16892 183.1
[M-H]- 294.17242 176.2
[M+NH4]+ 313.21352 185.9
[M+K]+ 334.14286 177.1
[M+H-H2O]+ 278.17696 162.5
[M+HCOO]- 340.17790 192.8
[M+CH3COO]- 354.19355 183.8
[M+Na-2H]- 316.15437 176.9
[M]+ 295.17915 176.3
[M]- 295.18025 176.3
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.