CID 9998128

N-1h-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine

Structural Information

Molecular Formula
C21H16N6
SMILES
CC1=NC(=CC=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5
InChI
InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)
InChIKey
HNHRWNUXTCATSG-UHFFFAOYSA-N
Compound name
N-(1H-indazol-5-yl)-2-(6-methylpyridin-2-yl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

352.14365 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15093 183.9
[M+Na]+ 375.13287 194.7
[M-H]- 351.13637 188.6
[M+NH4]+ 370.17747 192.4
[M+K]+ 391.10681 184.6
[M+H-H2O]+ 335.14091 171.4
[M+HCOO]- 397.14185 201.2
[M+CH3COO]- 411.15750 193.0
[M+Na-2H]- 373.11832 191.8
[M]+ 352.14310 183.9
[M]- 352.14420 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe