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]+ 298.166246 170.4
[M+Na]+ 320.148188 178.0
[M-H]- 296.151694 171.9
[M+NH4]+ 315.192793 181.6
[M+K]+ 336.122128 177.1
[M+H-H2O]+ 280.156230 159.6
[M+HCOO]- 342.157171 185.7
[M+CH3COO]- 356.172821 179.6
[M+Na-2H]- 318.133636 177.1
[M]+ 297.15842142 168.6
[M]- 297.15951858 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.