CID 475796

Chembl121348

Structural Information

Molecular Formula
C20H23N5
SMILES
CN(CC1CCC2=C(C1)C(=NC(=N2)N)N)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H23N5/c1-25(18-8-4-6-14-5-2-3-7-15(14)18)12-13-9-10-17-16(11-13)19(21)24-20(22)23-17/h2-8,13H,9-12H2,1H3,(H4,21,22,23,24)
InChIKey
GUIFHQSZBXGPLV-UHFFFAOYSA-N
Compound name
6-[[methyl(naphthalen-1-yl)amino]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

333.19534 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20262 179.0
[M+Na]+ 356.18456 184.9
[M-H]- 332.18806 184.5
[M+NH4]+ 351.22916 191.1
[M+K]+ 372.15850 179.0
[M+H-H2O]+ 316.19260 168.1
[M+HCOO]- 378.19354 197.4
[M+CH3COO]- 392.20919 187.9
[M+Na-2H]- 354.17001 184.5
[M]+ 333.19479 174.7
[M]- 333.19589 174.7
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.