CID 1077455

510761-66-7

Structural Information

Molecular Formula
C19H22N6O3
SMILES
C1COCCN1CCCN2C3=C(C=C(C2=N)C(=O)N)C(=O)N4C=CC=CC4=N3
InChI
InChI=1S/C19H22N6O3/c20-16-13(17(21)26)12-14-18(22-15-4-1-2-6-24(15)19(14)27)25(16)7-3-5-23-8-10-28-11-9-23/h1-2,4,6,12,20H,3,5,7-11H2,(H2,21,26)
InChIKey
CXDMERSBQJMJTI-UHFFFAOYSA-N
Compound name
6-imino-7-(3-morpholin-4-ylpropyl)-2-oxo-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

382.17532 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.18260 190.3
[M+Na]+ 405.16454 203.9
[M+NH4]+ 400.20914 195.0
[M+K]+ 421.13848 197.8
[M-H]- 381.16804 194.4
[M+Na-2H]- 403.14999 194.7
[M]+ 382.17477 193.1
[M]- 382.17587 193.1
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.