CID 1077461

510761-79-2

Structural Information

Molecular Formula
C25H27N7O3
SMILES
C1COCCN1CCCN2C3=C(C=C(C2=N)C(=O)NCC4=CN=CC=C4)C(=O)N5C=CC=CC5=N3
InChI
InChI=1S/C25H27N7O3/c26-22-19(24(33)28-17-18-5-3-7-27-16-18)15-20-23(29-21-6-1-2-9-31(21)25(20)34)32(22)10-4-8-30-11-13-35-14-12-30/h1-3,5-7,9,15-16,26H,4,8,10-14,17H2,(H,28,33)
InChIKey
VAAOSAARSJRKSX-UHFFFAOYSA-N
Compound name
6-imino-7-(3-morpholin-4-ylpropyl)-2-oxo-N-(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

2
References

0
Patents

473.21753 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.22481 214.2
[M+Na]+ 496.20675 229.5
[M+NH4]+ 491.25135 218.4
[M+K]+ 512.18069 221.8
[M-H]- 472.21025 220.3
[M+Na-2H]- 494.19220 221.1
[M]+ 473.21698 218.0
[M]- 473.21808 218.0
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.