CID 3071203

Brn 6435289

Structural Information

Molecular Formula
C21H21N5
SMILES
CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N5CCCC5)C
InChI
InChI=1S/C21H21N5/c1-14-9-10-16(13-15(14)2)19-22-23-20-17-7-3-4-8-18(17)21(24-26(19)20)25-11-5-6-12-25/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKey
QNUVLUIHLOELNP-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.1797 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18698 183.6
[M+Na]+ 366.16892 200.7
[M+NH4]+ 361.21352 191.9
[M+K]+ 382.14286 195.3
[M-H]- 342.17242 188.8
[M+Na-2H]- 364.15437 191.9
[M]+ 343.17915 187.7
[M]- 343.18025 187.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.