CID 3051730

Brn 0840222

Structural Information

Molecular Formula
C19H25N3O
SMILES
CN(C)CCCN1C(=O)CN2C3=C(CCCC3)C4=C2C1=CC=C4
InChI
InChI=1S/C19H25N3O/c1-20(2)11-6-12-21-17-10-5-8-15-14-7-3-4-9-16(14)22(19(15)17)13-18(21)23/h5,8,10H,3-4,6-7,9,11-13H2,1-2H3
InChIKey
CVJRGZVCZVWLMM-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)propyl]-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.19977 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 175.5
[M+Na]+ 334.18899 182.2
[M-H]- 310.19249 178.8
[M+NH4]+ 329.23359 193.0
[M+K]+ 350.16293 177.3
[M+H-H2O]+ 294.19703 166.2
[M+HCOO]- 356.19797 191.5
[M+CH3COO]- 370.21362 185.4
[M+Na-2H]- 332.17444 178.6
[M]+ 311.19922 176.9
[M]- 311.20032 176.9
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.