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]+ 264.14952 161.5
[M+Na]+ 286.13146 169.2
[M-H]- 262.13496 166.0
[M+NH4]+ 281.17606 175.9
[M+K]+ 302.10540 163.1
[M+H-H2O]+ 246.13950 151.5
[M+HCOO]- 308.14044 182.9
[M+CH3COO]- 322.15609 172.6
[M+Na-2H]- 284.11691 170.3
[M]+ 263.14169 161.3
[M]- 263.14279 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.