CID 3062465

1,2,4-triazolo(3,4-a)phthalazine-6-methanamine, n,n-bis(2-methoxyethyl)-3-(4-methoxyphenyl)-,hydrochloride

Structural Information

Molecular Formula
C23H27N5O3
SMILES
COCCN(CCOC)CC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H27N5O3/c1-29-14-12-27(13-15-30-2)16-21-19-6-4-5-7-20(19)23-25-24-22(28(23)26-21)17-8-10-18(31-3)11-9-17/h4-11H,12-16H2,1-3H3
InChIKey
CXWJWSJGOXFCQA-UHFFFAOYSA-N
Compound name
2-methoxy-N-(2-methoxyethyl)-N-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

421.2114 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.21868 203.3
[M+Na]+ 444.20062 211.3
[M-H]- 420.20412 208.0
[M+NH4]+ 439.24522 211.8
[M+K]+ 460.17456 206.4
[M+H-H2O]+ 404.20866 190.6
[M+HCOO]- 466.20960 222.4
[M+CH3COO]- 480.22525 211.9
[M+Na-2H]- 442.18607 207.7
[M]+ 421.21085 212.8
[M]- 421.21195 212.8
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.