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 170.8
[M+Na]+ 324.12197 181.5
[M-H]- 300.12547 174.6
[M+NH4]+ 319.16657 183.8
[M+K]+ 340.09591 173.4
[M+H-H2O]+ 284.13001 159.6
[M+HCOO]- 346.13095 191.1
[M+CH3COO]- 360.14660 181.6
[M+Na-2H]- 322.10742 179.0
[M]+ 301.13220 172.6
[M]- 301.13330 172.6
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

patents stripe