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]+ 292.18083 172.4
[M+Na]+ 314.16277 179.7
[M-H]- 290.16627 177.0
[M+NH4]+ 309.20737 185.9
[M+K]+ 330.13671 173.7
[M+H-H2O]+ 274.17081 162.6
[M+HCOO]- 336.17175 191.5
[M+CH3COO]- 350.18740 182.8
[M+Na-2H]- 312.14822 180.7
[M]+ 291.17300 172.3
[M]- 291.17410 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