CID 475795

Chembl121264

Structural Information

Molecular Formula
C19H21N5
SMILES
C1CC2=C(CC1CNC3=CC=CC4=CC=CC=C43)C(=NC(=N2)N)N
InChI
InChI=1S/C19H21N5/c20-18-15-10-12(8-9-17(15)23-19(21)24-18)11-22-16-7-3-5-13-4-1-2-6-14(13)16/h1-7,12,22H,8-11H2,(H4,20,21,23,24)
InChIKey
BALDIYHNZLXZIW-UHFFFAOYSA-N
Compound name
6-[(naphthalen-1-ylamino)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.1797 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18698 173.1
[M+Na]+ 342.16892 179.6
[M-H]- 318.17242 177.5
[M+NH4]+ 337.21352 185.3
[M+K]+ 358.14286 172.4
[M+H-H2O]+ 302.17696 162.7
[M+HCOO]- 364.17790 191.5
[M+CH3COO]- 378.19355 182.1
[M+Na-2H]- 340.15437 180.1
[M]+ 319.17915 167.5
[M]- 319.18025 167.5
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

No patent data available for this compound.