CID 3151399

371923-17-0

Structural Information

Molecular Formula
C18H19N5O3
SMILES
COCCN1C2=C(C=C(C1=N)C(=O)NCC=C)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C18H19N5O3/c1-3-7-20-17(24)12-11-13-16(23(15(12)19)9-10-26-2)21-14-6-4-5-8-22(14)18(13)25/h3-6,8,11,19H,1,7,9-10H2,2H3,(H,20,24)
InChIKey
LHSDHXKVQLRKQI-UHFFFAOYSA-N
Compound name
6-imino-7-(2-methoxyethyl)-2-oxo-N-prop-2-enyl-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

353.1488 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.156076 182.9
[M+Na]+ 376.138018 193.3
[M-H]- 352.141524 185.2
[M+NH4]+ 371.182623 193.7
[M+K]+ 392.111958 187.0
[M+H-H2O]+ 336.146060 172.8
[M+HCOO]- 398.147001 203.5
[M+CH3COO]- 412.162651 221.3
[M+Na-2H]- 374.123466 190.2
[M]+ 353.14825142 187.6
[M]- 353.14934858 187.6
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.