CID 334632

67744-82-5

Structural Information

Molecular Formula
C22H25N3O2
SMILES
C1CC(N2C(=O)CN(CC(=O)N2C1)CCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O2/c26-21-16-23(15-13-18-8-3-1-4-9-18)17-22(27)25-20(12-7-14-24(21)25)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
InChIKey
NDDWLOBMMCDRFK-UHFFFAOYSA-N
Compound name
7-phenyl-3-(2-phenylethyl)-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 191.2
[M+Na]+ 386.18389 195.1
[M-H]- 362.18739 197.1
[M+NH4]+ 381.22849 199.1
[M+K]+ 402.15783 192.8
[M+H-H2O]+ 346.19193 179.0
[M+HCOO]- 408.19287 203.0
[M+CH3COO]- 422.20852 198.1
[M+Na-2H]- 384.16934 191.8
[M]+ 363.19412 183.4
[M]- 363.19522 183.4
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.