CID 369578

Nsc641447

Structural Information

Molecular Formula
C19H16N4
SMILES
CC1=CC(=NC(=N1)NC2=CC3=CC=CC=C3N2)C4=CC=CC=C4
InChI
InChI=1S/C19H16N4/c1-13-11-17(14-7-3-2-4-8-14)22-19(20-13)23-18-12-15-9-5-6-10-16(15)21-18/h2-12,21H,1H3,(H,20,22,23)
InChIKey
KDBFWRRBGLHYKD-UHFFFAOYSA-N
Compound name
N-(4-methyl-6-phenylpyrimidin-2-yl)-1H-indol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13748 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14476 169.4
[M+Na]+ 323.12670 179.0
[M-H]- 299.13020 175.6
[M+NH4]+ 318.17130 182.0
[M+K]+ 339.10064 170.7
[M+H-H2O]+ 283.13474 158.8
[M+HCOO]- 345.13568 190.8
[M+CH3COO]- 359.15133 180.3
[M+Na-2H]- 321.11215 176.4
[M]+ 300.13693 168.8
[M]- 300.13803 168.8
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.