CID 55729

87540-50-9

Structural Information

Molecular Formula
C19H18ClN5O
SMILES
CCOC1=CC=CC2=C1C=NN3C2=NN=C3C4=C(C=C(C=C4)N(C)C)Cl
InChI
InChI=1S/C19H18ClN5O/c1-4-26-17-7-5-6-13-15(17)11-21-25-18(13)22-23-19(25)14-9-8-12(24(2)3)10-16(14)20/h5-11H,4H2,1-3H3
InChIKey
GVTMLVOAPRDWPY-UHFFFAOYSA-N
Compound name
3-chloro-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

367.12 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12728 187.7
[M+Na]+ 390.10922 199.9
[M-H]- 366.11272 193.1
[M+NH4]+ 385.15382 200.0
[M+K]+ 406.08316 193.0
[M+H-H2O]+ 350.11726 176.4
[M+HCOO]- 412.11820 203.2
[M+CH3COO]- 426.13385 198.4
[M+Na-2H]- 388.09467 192.5
[M]+ 367.11945 195.9
[M]- 367.12055 195.9
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.