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 171.5
[M+Na]+ 332.11182 183.2
[M-H]- 308.11532 174.2
[M+NH4]+ 327.15642 184.2
[M+K]+ 348.08576 176.5
[M+H-H2O]+ 292.11986 162.0
[M+HCOO]- 354.12080 192.7
[M+CH3COO]- 368.13645 213.1
[M+Na-2H]- 330.09727 179.7
[M]+ 309.12205 174.2
[M]- 309.12315 174.2
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.