CID 3057180

Hl 2157

Structural Information

Molecular Formula
C25H33N3O2
SMILES
CCCCOC1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CCN(CC)CC
InChI
InChI=1S/C25H33N3O2/c1-4-7-18-30-21-14-12-20(13-15-21)19-24-22-10-8-9-11-23(22)25(29)28(26-24)17-16-27(5-2)6-3/h8-15H,4-7,16-19H2,1-3H3
InChIKey
OWMQJKKXJLZFQD-UHFFFAOYSA-N
Compound name
4-[(4-butoxyphenyl)methyl]-2-[2-(diethylamino)ethyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.25726 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.26454 205.0
[M+Na]+ 430.24648 210.8
[M-H]- 406.24998 210.1
[M+NH4]+ 425.29108 214.3
[M+K]+ 446.22042 205.2
[M+H-H2O]+ 390.25452 192.9
[M+HCOO]- 452.25546 224.4
[M+CH3COO]- 466.27111 233.8
[M+Na-2H]- 428.23193 207.0
[M]+ 407.25671 211.4
[M]- 407.25781 211.4
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.