CID 211422

23099-87-8

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]+ 264.149516 161.5
[M+Na]+ 286.131458 169.2
[M-H]- 262.134964 166.0
[M+NH4]+ 281.176063 175.9
[M+K]+ 302.105398 163.1
[M+H-H2O]+ 246.139500 151.5
[M+HCOO]- 308.140441 182.9
[M+CH3COO]- 322.156091 172.6
[M+Na-2H]- 284.116906 170.3
[M]+ 263.14169142 161.3
[M]- 263.14278858 161.3
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

No patent data available for this compound.