CID 484954

Chembl7779

Structural Information

Molecular Formula
C16H20N4
SMILES
CC1=CC(=CC=C1)CC2CCC3=C(C2)C(=NC(=N3)N)N
InChI
InChI=1S/C16H20N4/c1-10-3-2-4-11(7-10)8-12-5-6-14-13(9-12)15(17)20-16(18)19-14/h2-4,7,12H,5-6,8-9H2,1H3,(H4,17,18,19,20)
InChIKey
ANEBECZGILEHAA-UHFFFAOYSA-N
Compound name
6-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

268.1688 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17608 164.9
[M+Na]+ 291.15802 172.2
[M-H]- 267.16152 168.8
[M+NH4]+ 286.20262 178.9
[M+K]+ 307.13196 166.2
[M+H-H2O]+ 251.16606 155.5
[M+HCOO]- 313.16700 183.7
[M+CH3COO]- 327.18265 175.1
[M+Na-2H]- 289.14347 169.2
[M]+ 268.16825 159.9
[M]- 268.16935 159.9
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

No patent data available for this compound.