CID 768768

371131-61-2

Structural Information

Molecular Formula
C16H15N5O2
SMILES
CNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC=C
InChI
InChI=1S/C16H15N5O2/c1-3-7-21-13(17)10(15(22)18-2)9-11-14(21)19-12-6-4-5-8-20(12)16(11)23/h3-6,8-9,17H,1,7H2,2H3,(H,18,22)
InChIKey
GKUNJLOFVRUWLH-UHFFFAOYSA-N
Compound name
6-imino-N-methyl-2-oxo-7-prop-2-enyl-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

0
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 170.0
[M+Na]+ 332.11182 184.9
[M+NH4]+ 327.15642 175.8
[M+K]+ 348.08576 177.8
[M-H]- 308.11532 171.9
[M+Na-2H]- 330.09727 175.8
[M]+ 309.12205 172.4
[M]- 309.12315 172.4
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.