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]+ 422.21868 204.7
[M+Na]+ 444.20062 213.7
[M-H]- 420.20412 209.8
[M+NH4]+ 439.24522 213.6
[M+K]+ 460.17456 208.7
[M+H-H2O]+ 404.20866 192.3
[M+HCOO]- 466.20960 223.8
[M+CH3COO]- 480.22525 213.7
[M+Na-2H]- 442.18607 208.3
[M]+ 421.21085 214.6
[M]- 421.21195 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.