CID 211422

4-phenyl-n-propylphthalazin-1-amine

Structural Information

Molecular Formula
C17H17N3
SMILES
CCCNC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C17H17N3/c1-2-12-18-17-15-11-7-6-10-14(15)16(19-20-17)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,20)
InChIKey
IYVBAXDFYJYFLU-UHFFFAOYSA-N
Compound name
4-phenyl-N-propylphthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14224 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14952 162.4
[M+Na]+ 286.13146 178.8
[M+NH4]+ 281.17606 171.7
[M+K]+ 302.10540 169.0
[M-H]- 262.13496 168.3
[M+Na-2H]- 284.11691 173.1
[M]+ 263.14169 166.6
[M]- 263.14279 166.6
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.