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]+ 265.165906 162.9
[M+Na]+ 287.147848 168.6
[M-H]- 263.151354 163.8
[M+NH4]+ 282.192453 177.2
[M+K]+ 303.121788 166.2
[M+H-H2O]+ 247.155890 155.0
[M+HCOO]- 309.156831 179.9
[M+CH3COO]- 323.172481 201.2
[M+Na-2H]- 285.133296 168.4
[M]+ 264.15808142 160.3
[M]- 264.15917858 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