CID 3087240

Brn 6446867

Structural Information

Molecular Formula
C23H27N5O3
SMILES
CC1=C(C=CC(=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N(CCOC)CCOC)OC
InChI
InChI=1S/C23H27N5O3/c1-16-15-17(9-10-20(16)31-4)21-24-25-22-18-7-5-6-8-19(18)23(26-28(21)22)27(11-13-29-2)12-14-30-3/h5-10,15H,11-14H2,1-4H3
InChIKey
XFIBSUWLZPTXNL-UHFFFAOYSA-N
Compound name
N,N-bis(2-methoxyethyl)-3-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.2114 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.218676 204.7
[M+Na]+ 444.200618 213.7
[M-H]- 420.204124 209.8
[M+NH4]+ 439.245223 213.6
[M+K]+ 460.174558 208.7
[M+H-H2O]+ 404.208660 192.3
[M+HCOO]- 466.209601 223.8
[M+CH3COO]- 480.225251 213.7
[M+Na-2H]- 442.186066 208.3
[M]+ 421.21085142 214.6
[M]- 421.21194858 214.6
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.