CID 6410594

1-phthalazinamine, n-(1-ethylpropyl)-4-phenyl-

Structural Information

Molecular Formula
C19H21N3
SMILES
CCC(CC)NC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C19H21N3/c1-3-15(4-2)20-19-17-13-9-8-12-16(17)18(21-22-19)14-10-6-5-7-11-14/h5-13,15H,3-4H2,1-2H3,(H,20,22)
InChIKey
ACUXBMRWTYAPSK-UHFFFAOYSA-N
Compound name
N-pentan-3-yl-4-phenylphthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

291.17355 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.18083 171.4
[M+Na]+ 314.16277 187.0
[M+NH4]+ 309.20737 180.2
[M+K]+ 330.13671 177.5
[M-H]- 290.16627 177.0
[M+Na-2H]- 312.14822 181.2
[M]+ 291.17300 175.4
[M]- 291.17410 175.4
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

patents stripe