CID 597667

Dnaase

Structural Information

Molecular Formula
C22H23N7O
SMILES
CN(C)C1=NC(=NC(=N1)N)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H23N7O/c1-29(2)22-27-19(26-21(23)28-22)18(25-20(30)14-8-4-3-5-9-14)12-15-13-24-17-11-7-6-10-16(15)17/h3-11,13,18,24H,12H2,1-2H3,(H,25,30)(H2,23,26,27,28)
InChIKey
SKIMQMDKYISCFW-UHFFFAOYSA-N
Compound name
N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-(1H-indol-3-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11367
References

0
Patents

401.1964 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.20368 193.5
[M+Na]+ 424.18562 199.3
[M-H]- 400.18912 199.4
[M+NH4]+ 419.23022 200.0
[M+K]+ 440.15956 193.0
[M+H-H2O]+ 384.19366 181.5
[M+HCOO]- 446.19460 212.9
[M+CH3COO]- 460.21025 201.3
[M+Na-2H]- 422.17107 197.6
[M]+ 401.19585 193.0
[M]- 401.19695 193.0
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.