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 207.8
[M+Na]+ 458.21627 215.0
[M-H]- 434.21977 212.4
[M+NH4]+ 453.26087 215.7
[M+K]+ 474.19021 210.5
[M+H-H2O]+ 418.22431 195.2
[M+HCOO]- 480.22525 225.6
[M+CH3COO]- 494.24090 236.8
[M+Na-2H]- 456.20172 210.7
[M]+ 435.22650 217.1
[M]- 435.22760 217.1
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.