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 180.7
[M+Na]+ 356.14819 191.4
[M-H]- 332.15169 186.2
[M+NH4]+ 351.19279 193.3
[M+K]+ 372.12213 185.6
[M+H-H2O]+ 316.15623 169.2
[M+HCOO]- 378.15717 201.0
[M+CH3COO]- 392.17282 191.6
[M+Na-2H]- 354.13364 186.9
[M]+ 333.15842 186.4
[M]- 333.15952 186.4
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.