CID 59321631

874279-78-4

Structural Information

Molecular Formula
C15H24N4O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2N)N
InChI
InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-9-7-18(8-10-19)12-6-4-5-11(16)13(12)17/h4-6H,7-10,16-17H2,1-3H3
InChIKey
QHQZTHKVIZFSRX-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2,3-diaminophenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

292.1899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19718 172.7
[M+Na]+ 315.17912 177.4
[M-H]- 291.18262 175.4
[M+NH4]+ 310.22372 184.6
[M+K]+ 331.15306 174.5
[M+H-H2O]+ 275.18716 164.0
[M+HCOO]- 337.18810 188.6
[M+CH3COO]- 351.20375 206.6
[M+Na-2H]- 313.16457 173.7
[M]+ 292.18935 167.5
[M]- 292.19045 167.5
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