CID 1077422

510761-54-3

Structural Information

Molecular Formula
C24H19N7O2
SMILES
C1=CC2=NC3=C(C=C(C(=N)N3CC4=CN=CC=C4)C(=O)NCC5=CN=CC=C5)C(=O)N2C=C1
InChI
InChI=1S/C24H19N7O2/c25-21-18(23(32)28-14-16-5-3-8-26-12-16)11-19-22(31(21)15-17-6-4-9-27-13-17)29-20-7-1-2-10-30(20)24(19)33/h1-13,25H,14-15H2,(H,28,32)
InChIKey
SOSXCVLTPBDKRN-UHFFFAOYSA-N
Compound name
6-imino-2-oxo-N,7-bis(pyridin-3-ylmethyl)-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

437.16003 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.16731 203.7
[M+Na]+ 460.14925 221.9
[M+NH4]+ 455.19385 208.8
[M+K]+ 476.12319 212.9
[M-H]- 436.15275 209.6
[M+Na-2H]- 458.13470 214.4
[M]+ 437.15948 208.0
[M]- 437.16058 208.0
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.