CID 6419766

N-(5-methyl-1h-pyrazol-3-yl)-2-phenylquinazolin-4-amine

Structural Information

Molecular Formula
C18H15N5
SMILES
CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
InChIKey
JYCUVOXSZBECAY-UHFFFAOYSA-N
Compound name
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

520
Patents

301.13275 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14003 169.6
[M+Na]+ 324.12197 179.7
[M-H]- 300.12547 174.6
[M+NH4]+ 319.16657 180.8
[M+K]+ 340.09591 171.3
[M+H-H2O]+ 284.13001 158.4
[M+HCOO]- 346.13095 189.9
[M+CH3COO]- 360.14660 180.1
[M+Na-2H]- 322.10742 177.2
[M]+ 301.13220 169.1
[M]- 301.13330 169.1
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