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 170.9
[M+Na]+ 314.16277 177.4
[M-H]- 290.16627 175.2
[M+NH4]+ 309.20737 184.1
[M+K]+ 330.13671 171.4
[M+H-H2O]+ 274.17081 160.6
[M+HCOO]- 336.17175 190.6
[M+CH3COO]- 350.18740 181.0
[M+Na-2H]- 312.14822 177.4
[M]+ 291.17300 170.7
[M]- 291.17410 170.7
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

patents stripe