CID 55727

87540-43-0

Structural Information

Molecular Formula
C19H19N5O
SMILES
CCOC1=CC=CC2=C1C=NN3C2=NN=C3C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C19H19N5O/c1-4-25-17-7-5-6-15-16(17)12-20-24-18(21-22-19(15)24)13-8-10-14(11-9-13)23(2)3/h5-12H,4H2,1-3H3
InChIKey
YXLVDYVQRPEGHT-UHFFFAOYSA-N
Compound name
4-(7-ethoxy-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.15897 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16625 179.0
[M+Na]+ 356.14819 195.7
[M+NH4]+ 351.19279 186.8
[M+K]+ 372.12213 189.1
[M-H]- 332.15169 183.5
[M+Na-2H]- 354.13364 187.7
[M]+ 333.15842 182.8
[M]- 333.15952 182.8
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

No patent data available for this compound.