CID 3071243

1-((8-chloro-6-phenyl-1,2,4-triazolo(3,4-a)phthalazin-3-yl)methylamino)-2-propanol

Structural Information

Molecular Formula
C19H18ClN5O
SMILES
CC(CN(C)C1=NN=C2N1N=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)O
InChI
InChI=1S/C19H18ClN5O/c1-12(26)11-24(2)19-22-21-18-15-9-8-14(20)10-16(15)17(23-25(18)19)13-6-4-3-5-7-13/h3-10,12,26H,11H2,1-2H3
InChIKey
FTOOZRHZXGOWDL-UHFFFAOYSA-N
Compound name
1-[(8-chloro-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-methylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

367.12 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12728 185.5
[M+Na]+ 390.10922 196.0
[M-H]- 366.11272 189.5
[M+NH4]+ 385.15382 196.8
[M+K]+ 406.08316 189.0
[M+H-H2O]+ 350.11726 174.8
[M+HCOO]- 412.11820 198.8
[M+CH3COO]- 426.13385 195.3
[M+Na-2H]- 388.09467 190.0
[M]+ 367.11945 191.2
[M]- 367.12055 191.2
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