CID 24941253

N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide

Structural Information

Molecular Formula
C26H23N3O
SMILES
CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=NC(=C4C=C3)C5=CC=CC=C5C
InChI
InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
InChIKey
GQXMJOSCBRZMKE-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

393.1841 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19138 198.6
[M+Na]+ 416.17332 207.6
[M-H]- 392.17682 209.3
[M+NH4]+ 411.21792 202.9
[M+K]+ 432.14726 199.4
[M+H-H2O]+ 376.18136 187.1
[M+HCOO]- 438.18230 218.1
[M+CH3COO]- 452.19795 207.1
[M+Na-2H]- 414.15877 201.5
[M]+ 393.18355 200.4
[M]- 393.18465 200.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe