CID 165937791

Tert-butyl 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C12H19ClN6O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=N2)N)Cl
InChI
InChI=1S/C12H19ClN6O2/c1-12(2,3)21-11(20)19-6-4-18(5-7-19)10-16-8(13)15-9(14)17-10/h4-7H2,1-3H3,(H2,14,15,16,17)
InChIKey
IUDYSKHCGYBNOW-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1258 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13308 175.7
[M+Na]+ 337.11502 183.1
[M-H]- 313.11852 175.1
[M+NH4]+ 332.15962 183.9
[M+K]+ 353.08896 178.8
[M+H-H2O]+ 297.12306 165.6
[M+HCOO]- 359.12400 183.3
[M+CH3COO]- 373.13965 205.3
[M+Na-2H]- 335.10047 178.4
[M]+ 314.12525 174.4
[M]- 314.12635 174.4
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.