CID 484964

Chembl7571

Structural Information

Molecular Formula
C12H20N4
SMILES
CC(C)(C)C1CCC2=C(C1)C(=NC(=N2)N)N
InChI
InChI=1S/C12H20N4/c1-12(2,3)7-4-5-9-8(6-7)10(13)16-11(14)15-9/h7H,4-6H2,1-3H3,(H4,13,14,15,16)
InChIKey
ZNQWFSHAFZBMJV-UHFFFAOYSA-N
Compound name
6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

220.1688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.17608 154.5
[M+Na]+ 243.15802 161.8
[M-H]- 219.16152 155.4
[M+NH4]+ 238.20262 171.0
[M+K]+ 259.13196 158.2
[M+H-H2O]+ 203.16606 147.3
[M+HCOO]- 265.16700 171.6
[M+CH3COO]- 279.18265 195.7
[M+Na-2H]- 241.14347 159.7
[M]+ 220.16825 149.7
[M]- 220.16935 149.7
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