CID 3072352

6h-dipyrido(3,2-d:2',3'-f)diazepin-6-one, 5,7-dihydro-5-(3-(dimethylamino)propyl)-

Structural Information

Molecular Formula
C16H19N5O
SMILES
CN(C)CCCN1C2=C(C3=C(C=CC=N3)NC1=O)N=CC=C2
InChI
InChI=1S/C16H19N5O/c1-20(2)10-5-11-21-13-7-4-9-18-15(13)14-12(19-16(21)22)6-3-8-17-14/h3-4,6-9H,5,10-11H2,1-2H3,(H,19,22)
InChIKey
CLNWWHHTDUKNJJ-UHFFFAOYSA-N
Compound name
8-[3-(dimethylamino)propyl]-3,8,10,15-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.15897 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16625 170.4
[M+Na]+ 320.14819 178.0
[M-H]- 296.15169 171.9
[M+NH4]+ 315.19279 181.6
[M+K]+ 336.12213 177.1
[M+H-H2O]+ 280.15623 159.6
[M+HCOO]- 342.15717 185.7
[M+CH3COO]- 356.17282 179.6
[M+Na-2H]- 318.13364 177.1
[M]+ 297.15842 168.6
[M]- 297.15952 168.6
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.