CID 3087239

Brn 6446806

Structural Information

Molecular Formula
C23H28N6O2
SMILES
CN(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N(CCOC)CCOC
InChI
InChI=1S/C23H28N6O2/c1-27(2)18-11-9-17(10-12-18)21-24-25-22-19-7-5-6-8-20(19)23(26-29(21)22)28(13-15-30-3)14-16-31-4/h5-12H,13-16H2,1-4H3
InChIKey
YJLOVTRJTQFBEJ-UHFFFAOYSA-N
Compound name
3-[4-(dimethylamino)phenyl]-N,N-bis(2-methoxyethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.2274 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.23468 203.4
[M+Na]+ 443.21662 210.9
[M-H]- 419.22012 209.6
[M+NH4]+ 438.26122 212.4
[M+K]+ 459.19056 206.6
[M+H-H2O]+ 403.22466 190.6
[M+HCOO]- 465.22560 224.0
[M+CH3COO]- 479.24125 212.3
[M+Na-2H]- 441.20207 208.0
[M]+ 420.22685 212.3
[M]- 420.22795 212.3
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.