CID 3151324

370870-16-9

Structural Information

Molecular Formula
C18H17N5O2
SMILES
C=CCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC=C
InChI
InChI=1S/C18H17N5O2/c1-3-8-20-17(24)12-11-13-16(23(9-4-2)15(12)19)21-14-7-5-6-10-22(14)18(13)25/h3-7,10-11,19H,1-2,8-9H2,(H,20,24)
InChIKey
MZVRVMIDXVIDDI-UHFFFAOYSA-N
Compound name
6-imino-2-oxo-N,7-bis(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

2
References

0
Patents

335.1382 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14548 179.3
[M+Na]+ 358.12742 190.3
[M-H]- 334.13092 181.6
[M+NH4]+ 353.17202 190.8
[M+K]+ 374.10136 182.6
[M+H-H2O]+ 318.13546 169.4
[M+HCOO]- 380.13640 199.9
[M+CH3COO]- 394.15205 218.3
[M+Na-2H]- 356.11287 186.4
[M]+ 335.13765 181.9
[M]- 335.13875 181.9
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.