CID 54594856

1-(propan-2-yl)-n-[1-(propan-2-yl)-4,5,6,7-tetrahydro-1h-indazol-5-yl]-4,5,6,7-tetrahydro-1h-indazol-5-amine

Structural Information

Molecular Formula
C20H31N5
SMILES
CC(C)N1C2=C(CC(CC2)NC3CCC4=C(C3)C=NN4C(C)C)C=N1
InChI
InChI=1S/C20H31N5/c1-13(2)24-19-7-5-17(9-15(19)11-21-24)23-18-6-8-20-16(10-18)12-22-25(20)14(3)4/h11-14,17-18,23H,5-10H2,1-4H3
InChIKey
WMOICTBMVHEMTR-UHFFFAOYSA-N
Compound name
1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.25793 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.26521 186.8
[M+Na]+ 364.24715 192.3
[M-H]- 340.25065 189.8
[M+NH4]+ 359.29175 200.2
[M+K]+ 380.22109 187.0
[M+H-H2O]+ 324.25519 176.6
[M+HCOO]- 386.25613 199.6
[M+CH3COO]- 400.27178 195.0
[M+Na-2H]- 362.23260 183.8
[M]+ 341.25738 184.7
[M]- 341.25848 184.7
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.