CID 470720

Bdbm2071

Structural Information

Molecular Formula
C17H19N5O2
SMILES
CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)CCC(=O)N)C
InChI
InChI=1S/C17H19N5O2/c1-3-22-15-12(9-11(10-20-15)6-7-14(18)23)17(24)21(2)13-5-4-8-19-16(13)22/h4-5,8-10H,3,6-7H2,1-2H3,(H2,18,23)
InChIKey
NRNIFZBRIWLZHG-UHFFFAOYSA-N
Compound name
3-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.15387 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16115 178.7
[M+Na]+ 348.14309 187.8
[M-H]- 324.14659 180.5
[M+NH4]+ 343.18769 189.1
[M+K]+ 364.11703 186.9
[M+H-H2O]+ 308.15113 168.2
[M+HCOO]- 370.15207 193.4
[M+CH3COO]- 384.16772 187.8
[M+Na-2H]- 346.12854 182.6
[M]+ 325.15332 177.8
[M]- 325.15442 177.8
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.