CID 164161

124427-80-1

Structural Information

Molecular Formula
C20H17N3
SMILES
C1=CC=C2C=C(C=CC2=C1)CCNC3=NC=NC4=CC=CC=C43
InChI
InChI=1S/C20H17N3/c1-2-6-17-13-15(9-10-16(17)5-1)11-12-21-20-18-7-3-4-8-19(18)22-14-23-20/h1-10,13-14H,11-12H2,(H,21,22,23)
InChIKey
FSLSBRBLTSYCQH-UHFFFAOYSA-N
Compound name
N-(2-naphthalen-2-ylethyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

299.14224 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.149516 169.2
[M+Na]+ 322.131458 177.9
[M-H]- 298.134964 174.7
[M+NH4]+ 317.176063 182.9
[M+K]+ 338.105398 170.2
[M+H-H2O]+ 282.139500 158.3
[M+HCOO]- 344.140441 190.5
[M+CH3COO]- 358.156091 180.0
[M+Na-2H]- 320.116906 180.4
[M]+ 299.14169142 169.9
[M]- 299.14278858 169.9
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

patents stripe