CID 121375819

Zen-3694

Structural Information

Molecular Formula
C19H19N5O
SMILES
CC1=C(C(=NO1)C)C2=CC3=C(N=C2)N=C(N3CC4=CC=CC=C4)NC
InChI
InChI=1S/C19H19N5O/c1-12-17(13(2)25-23-12)15-9-16-18(21-10-15)22-19(20-3)24(16)11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,20,21,22)
InChIKey
VUFGOHIETLJZRG-UHFFFAOYSA-N
Compound name
1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylimidazo[4,5-b]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

333.15897 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16625 179.9
[M+Na]+ 356.14819 191.6
[M-H]- 332.15169 188.0
[M+NH4]+ 351.19279 191.8
[M+K]+ 372.12213 186.1
[M+H-H2O]+ 316.15623 169.6
[M+HCOO]- 378.15717 201.5
[M+CH3COO]- 392.17282 191.6
[M+Na-2H]- 354.13364 182.6
[M]+ 333.15842 185.3
[M]- 333.15952 185.3
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

patents stripe