CID 3151391

497078-69-0

Structural Information

Molecular Formula
C16H15N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCOC)C#N
InChI
InChI=1S/C16H15N5O2/c1-10-4-3-5-21-14(10)19-15-12(16(21)22)8-11(9-17)13(18)20(15)6-7-23-2/h3-5,8,18H,6-7H2,1-2H3
InChIKey
SGEIVANOXRGJIE-UHFFFAOYSA-N
Compound name
6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.1226 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12988 175.4
[M+Na]+ 332.11182 190.6
[M+NH4]+ 327.15642 178.5
[M+K]+ 348.08576 179.8
[M-H]- 308.11532 170.1
[M+Na-2H]- 330.09727 178.3
[M]+ 309.12205 175.3
[M]- 309.12315 175.3
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.