CID 503441

Chembl344336

Structural Information

Molecular Formula
C18H29N5O2
SMILES
CCCCCCCCCCCCNC1=NC(=O)C2=C(C(=O)N1)N=CN2
InChI
InChI=1S/C18H29N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-18-22-16(24)14-15(17(25)23-18)21-13-20-14/h13H,2-12H2,1H3,(H,20,21)(H2,19,22,23,24,25)
InChIKey
HOVHJQVZIJPMMP-UHFFFAOYSA-N
Compound name
6-(dodecylamino)-3,7-dihydroimidazo[4,5-e][1,3]diazepine-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

347.23212 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.23940 184.1
[M+Na]+ 370.22134 190.2
[M-H]- 346.22484 182.3
[M+NH4]+ 365.26594 193.1
[M+K]+ 386.19528 187.9
[M+H-H2O]+ 330.22938 172.8
[M+HCOO]- 392.23032 200.7
[M+CH3COO]- 406.24597 212.4
[M+Na-2H]- 368.20679 186.2
[M]+ 347.23157 185.0
[M]- 347.23267 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.