CID 356968

Nsc614523

Structural Information

Molecular Formula
C21H19N5O2
SMILES
CN(C)CCN1C(=O)C2=C(C1=O)C3=C(N4C2=CC=C4)N(N=C3)C5=CC=CC=C5
InChI
InChI=1S/C21H19N5O2/c1-23(2)11-12-25-20(27)17-15-13-22-26(14-7-4-3-5-8-14)19(15)24-10-6-9-16(24)18(17)21(25)28/h3-10,13H,11-12H2,1-2H3
InChIKey
WKNLGGNWLWZGTB-UHFFFAOYSA-N
Compound name
9-[2-(dimethylamino)ethyl]-3-phenyl-1,3,4,9-tetrazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7(11),12,14-pentaene-8,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.15387 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16115 189.0
[M+Na]+ 396.14309 201.3
[M-H]- 372.14659 197.5
[M+NH4]+ 391.18769 204.9
[M+K]+ 412.11703 195.7
[M+H-H2O]+ 356.15113 180.1
[M+HCOO]- 418.15207 210.7
[M+CH3COO]- 432.16772 200.7
[M+Na-2H]- 394.12854 189.0
[M]+ 373.15332 197.1
[M]- 373.15442 197.1
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.