CID 3071219

87540-41-8

Structural Information

Molecular Formula
C17H13BrN4O
SMILES
CCOC1=NN2C(=NN=C2C3=CC=CC=C3Br)C4=CC=CC=C41
InChI
InChI=1S/C17H13BrN4O/c1-2-23-17-12-8-4-3-7-11(12)15-19-20-16(22(15)21-17)13-9-5-6-10-14(13)18/h3-10H,2H2,1H3
InChIKey
JZNFZRCGTJXNBF-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)-6-ethoxy-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

368.02728 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03456 177.2
[M+Na]+ 391.01650 191.8
[M-H]- 367.02000 184.1
[M+NH4]+ 386.06110 192.3
[M+K]+ 406.99044 178.9
[M+H-H2O]+ 351.02454 174.3
[M+HCOO]- 413.02548 194.8
[M+CH3COO]- 427.04113 190.3
[M+Na-2H]- 389.00195 185.2
[M]+ 368.02673 200.0
[M]- 368.02783 200.0
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

patents stripe