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]+ 326.16115 177.9
[M+Na]+ 348.14309 189.4
[M-H]- 324.14659 180.9
[M+NH4]+ 343.18769 190.3
[M+K]+ 364.11703 183.8
[M+H-H2O]+ 308.15113 168.6
[M+HCOO]- 370.15207 197.5
[M+CH3COO]- 384.16772 219.0
[M+Na-2H]- 346.12854 183.6
[M]+ 325.15332 181.5
[M]- 325.15442 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.