CID 6410595

N-(2,2-dimethylpropyl)-4-phenyl-1-phthalazinamine

Structural Information

Molecular Formula
C19H21N3
SMILES
CC(C)(C)CNC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C19H21N3/c1-19(2,3)13-20-18-16-12-8-7-11-15(16)17(21-22-18)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22)
InChIKey
MLAKAXGSWVFAMA-UHFFFAOYSA-N
Compound name
N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

291.17355 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.180826 172.4
[M+Na]+ 314.162768 179.7
[M-H]- 290.166274 177.0
[M+NH4]+ 309.207373 185.9
[M+K]+ 330.136708 173.7
[M+H-H2O]+ 274.170810 162.6
[M+HCOO]- 336.171751 191.5
[M+CH3COO]- 350.187401 182.8
[M+Na-2H]- 312.148216 180.7
[M]+ 291.17300142 172.3
[M]- 291.17409858 172.3
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