CID 3060036

77594-53-7

Structural Information

Molecular Formula
C20H23N5O
SMILES
C1CN=C(N1)N(CCCO)CC2=C(NC3=CC=CC=C32)C4=CC=CC=N4
InChI
InChI=1S/C20H23N5O/c26-13-5-12-25(20-22-10-11-23-20)14-16-15-6-1-2-7-17(15)24-19(16)18-8-3-4-9-21-18/h1-4,6-9,24,26H,5,10-14H2,(H,22,23)
InChIKey
LQIIQNOIWLGJLZ-UHFFFAOYSA-N
Compound name
3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.19025 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.19753 183.2
[M+Na]+ 372.17947 195.4
[M+NH4]+ 367.22407 189.4
[M+K]+ 388.15341 192.2
[M-H]- 348.18297 186.7
[M+Na-2H]- 370.16492 190.7
[M]+ 349.18970 185.7
[M]- 349.19080 185.7
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.