CID 55725

Brn 6443514

Structural Information

Molecular Formula
C20H18N6O
SMILES
C1CCN(C1)C2=CC=CC3=C2C=NN4C3=NN=C4C5=CC=C(C=C5)C(=O)N
InChI
InChI=1S/C20H18N6O/c21-18(27)13-6-8-14(9-7-13)19-23-24-20-15-4-3-5-17(25-10-1-2-11-25)16(15)12-22-26(19)20/h3-9,12H,1-2,10-11H2,(H2,21,27)
InChIKey
AJNIVNDYHMWQKV-UHFFFAOYSA-N
Compound name
4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1542 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16148 183.3
[M+Na]+ 381.14342 192.3
[M-H]- 357.14692 189.1
[M+NH4]+ 376.18802 193.7
[M+K]+ 397.11736 185.0
[M+H-H2O]+ 341.15146 171.7
[M+HCOO]- 403.15240 199.5
[M+CH3COO]- 417.16805 192.5
[M+Na-2H]- 379.12887 184.7
[M]+ 358.15365 182.3
[M]- 358.15475 182.3
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.