CID 3087238

Brn 6447412

Structural Information

Molecular Formula
C24H29N5O3
SMILES
CC(C)OC1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N(CCOC)CCOC
InChI
InChI=1S/C24H29N5O3/c1-17(2)32-19-11-9-18(10-12-19)22-25-26-23-20-7-5-6-8-21(20)24(27-29(22)23)28(13-15-30-3)14-16-31-4/h5-12,17H,13-16H2,1-4H3
InChIKey
SRMUDIQBHIZHCP-UHFFFAOYSA-N
Compound name
N,N-bis(2-methoxyethyl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.22705 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.23433 206.8
[M+Na]+ 458.21627 221.0
[M+NH4]+ 453.26087 212.4
[M+K]+ 474.19021 215.3
[M-H]- 434.21977 210.0
[M+Na-2H]- 456.20172 213.0
[M]+ 435.22650 209.7
[M]- 435.22760 209.7
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.