CID 59437352

1073633-86-9

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CC(C)(C)OC(=O)NC1CCC2=NC(=NC=C2C1)N
InChI
InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)16-9-4-5-10-8(6-9)7-15-11(14)17-10/h7,9H,4-6H2,1-3H3,(H,16,18)(H2,14,15,17)
InChIKey
ADZQBEXWLVQODS-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

264.15863 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 162.9
[M+Na]+ 287.14785 168.6
[M-H]- 263.15135 163.8
[M+NH4]+ 282.19245 177.2
[M+K]+ 303.12179 166.2
[M+H-H2O]+ 247.15589 155.0
[M+HCOO]- 309.15683 179.9
[M+CH3COO]- 323.17248 201.2
[M+Na-2H]- 285.13330 168.4
[M]+ 264.15808 160.3
[M]- 264.15918 160.3
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