CID 3071238

6-phenyl-3-(2-propenylamino)-1,2,4-triazolo(3,4-a)phthalazine

Structural Information

Molecular Formula
C18H15N5
SMILES
C=CCNC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C18H15N5/c1-2-12-19-18-21-20-17-15-11-7-6-10-14(15)16(22-23(17)18)13-8-4-3-5-9-13/h2-11H,1,12H2,(H,19,21)
InChIKey
USJXNVWBZBITPA-UHFFFAOYSA-N
Compound name
6-phenyl-N-prop-2-enyl-[1,2,4]triazolo[3,4-a]phthalazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

301.13275 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14003 170.5
[M+Na]+ 324.12197 187.5
[M+NH4]+ 319.16657 178.6
[M+K]+ 340.09591 179.8
[M-H]- 300.12547 174.9
[M+Na-2H]- 322.10742 179.9
[M]+ 301.13220 174.3
[M]- 301.13330 174.3
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

patents stripe