CID 3087235

Brn 6445480

Structural Information

Molecular Formula
C21H22FN5O2
SMILES
COCCN(CCOC)C1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H22FN5O2/c1-28-13-11-26(12-14-29-2)21-18-6-4-3-5-17(18)20-24-23-19(27(20)25-21)15-7-9-16(22)10-8-15/h3-10H,11-14H2,1-2H3
InChIKey
JJHVPUJMJFVQMB-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.17575 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18303 194.8
[M+Na]+ 418.16497 204.2
[M-H]- 394.16847 198.5
[M+NH4]+ 413.20957 204.5
[M+K]+ 434.13891 198.3
[M+H-H2O]+ 378.17301 181.7
[M+HCOO]- 440.17395 213.5
[M+CH3COO]- 454.18960 204.0
[M+Na-2H]- 416.15042 199.5
[M]+ 395.17520 201.5
[M]- 395.17630 201.5
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.