CID 3072362

142300-97-8

Structural Information

Molecular Formula
C21H30N6O
SMILES
CN(C)CCCN1C2=C(C3=C(C=CC=N3)N(C1=O)CCCN(C)C)N=CC=C2
InChI
InChI=1S/C21H30N6O/c1-24(2)13-7-15-26-17-9-5-11-22-19(17)20-18(10-6-12-23-20)27(21(26)28)16-8-14-25(3)4/h5-6,9-12H,7-8,13-16H2,1-4H3
InChIKey
KWGWJPRLJYIBON-UHFFFAOYSA-N
Compound name
8,10-bis[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

382.2481 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.25538 193.4
[M+Na]+ 405.23732 203.5
[M+NH4]+ 400.28192 198.4
[M+K]+ 421.21126 197.8
[M-H]- 381.24082 195.2
[M+Na-2H]- 403.22277 197.2
[M]+ 382.24755 195.2
[M]- 382.24865 195.2
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.