CID 3071212

Brn 4768157

Structural Information

Molecular Formula
C22H25N5O3
SMILES
COCCN(CCOC)C1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H25N5O3/c1-28-14-12-26(13-15-29-2)22-19-7-5-4-6-18(19)21-24-23-20(27(21)25-22)16-8-10-17(30-3)11-9-16/h4-11H,12-15H2,1-3H3
InChIKey
BNPBZINPHDCVFQ-UHFFFAOYSA-N
Compound name
N,N-bis(2-methoxyethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

407.19574 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.20302 198.9
[M+Na]+ 430.18496 207.4
[M-H]- 406.18846 203.8
[M+NH4]+ 425.22956 208.0
[M+K]+ 446.15890 202.6
[M+H-H2O]+ 390.19300 186.4
[M+HCOO]- 452.19394 218.4
[M+CH3COO]- 466.20959 208.0
[M+Na-2H]- 428.17041 203.8
[M]+ 407.19519 208.1
[M]- 407.19629 208.1
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

patents stripe