CID 750944

618072-30-3

Structural Information

Molecular Formula
C17H19N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C(C)C)C(=O)NC
InChI
InChI=1S/C17H19N5O2/c1-9(2)22-13(18)11(16(23)19-4)8-12-15(22)20-14-10(3)6-5-7-21(14)17(12)24/h5-9,18H,1-4H3,(H,19,23)
InChIKey
WDXKKHCTSLAHPJ-UHFFFAOYSA-N
Compound name
6-imino-N,11-dimethyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
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]+ 326.161146 177.9
[M+Na]+ 348.143088 189.4
[M-H]- 324.146594 180.9
[M+NH4]+ 343.187693 190.3
[M+K]+ 364.117028 183.8
[M+H-H2O]+ 308.151130 168.6
[M+HCOO]- 370.152071 197.5
[M+CH3COO]- 384.167721 219.0
[M+Na-2H]- 346.128536 183.6
[M]+ 325.15332142 181.5
[M]- 325.15441858 181.5
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.