CID 5018264

618074-24-1

Structural Information

Molecular Formula
C15H15N5O3
SMILES
C1=CC2=NC3=C(C=C(C(=N)N3CCCO)C(=O)N)C(=O)N2C=C1
InChI
InChI=1S/C15H15N5O3/c16-12-9(13(17)22)8-10-14(20(12)6-3-7-21)18-11-4-1-2-5-19(11)15(10)23/h1-2,4-5,8,16,21H,3,6-7H2,(H2,17,22)
InChIKey
GVCWLXWTGBLOLH-UHFFFAOYSA-N
Compound name
7-(3-hydroxypropyl)-6-imino-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

0
References

0
Patents

313.1175 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12478 171.0
[M+Na]+ 336.10672 182.1
[M-H]- 312.11022 172.0
[M+NH4]+ 331.15132 182.5
[M+K]+ 352.08066 175.9
[M+H-H2O]+ 296.11476 161.9
[M+HCOO]- 358.11570 190.4
[M+CH3COO]- 372.13135 211.2
[M+Na-2H]- 334.09217 178.4
[M]+ 313.11695 172.9
[M]- 313.11805 172.9
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.