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]+ 336.145476 179.3
[M+Na]+ 358.127418 190.3
[M-H]- 334.130924 181.6
[M+NH4]+ 353.172023 190.8
[M+K]+ 374.101358 182.6
[M+H-H2O]+ 318.135460 169.4
[M+HCOO]- 380.136401 199.9
[M+CH3COO]- 394.152051 218.3
[M+Na-2H]- 356.112866 186.4
[M]+ 335.13765142 181.9
[M]- 335.13874858 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.