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 192.7
[M+Na]+ 405.16454 200.7
[M-H]- 381.16804 195.9
[M+NH4]+ 400.20914 198.3
[M+K]+ 421.13848 194.9
[M+H-H2O]+ 365.17258 180.4
[M+HCOO]- 427.17352 206.6
[M+CH3COO]- 441.18917 200.3
[M+Na-2H]- 403.14999 198.1
[M]+ 382.17477 191.8
[M]- 382.17587 191.8
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.