CID 3151325

488811-64-9

Structural Information

Molecular Formula
C19H19N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC=C)C(=O)NCC=C
InChI
InChI=1S/C19H19N5O2/c1-4-8-21-18(25)13-11-14-17(23(9-5-2)15(13)20)22-16-12(3)7-6-10-24(16)19(14)26/h4-7,10-11,20H,1-2,8-9H2,3H3,(H,21,25)
InChIKey
SEWYKSNNQWFRLI-UHFFFAOYSA-N
Compound name
6-imino-11-methyl-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

349.15387 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16115 184.7
[M+Na]+ 372.14309 196.1
[M-H]- 348.14659 187.2
[M+NH4]+ 367.18769 195.9
[M+K]+ 388.11703 188.2
[M+H-H2O]+ 332.15113 174.8
[M+HCOO]- 394.15207 204.9
[M+CH3COO]- 408.16772 222.6
[M+Na-2H]- 370.12854 190.4
[M]+ 349.15332 188.0
[M]- 349.15442 188.0
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.