CID 3688518

371212-22-5

Structural Information

Molecular Formula
C18H21N5O3
SMILES
CCNC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CCOC
InChI
InChI=1S/C18H21N5O3/c1-4-20-17(24)12-10-13-16(22(14(12)19)8-9-26-3)21-15-11(2)6-5-7-23(15)18(13)25/h5-7,10,19H,4,8-9H2,1-3H3,(H,20,24)
InChIKey
KYFHBTMOAYXZAC-UHFFFAOYSA-N
Compound name
N-ethyl-6-imino-7-(2-methoxyethyl)-11-methyl-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

355.16443 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17171 185.2
[M+Na]+ 378.15365 196.2
[M-H]- 354.15715 187.8
[M+NH4]+ 373.19825 196.3
[M+K]+ 394.12759 190.5
[M+H-H2O]+ 338.16169 175.2
[M+HCOO]- 400.16263 205.5
[M+CH3COO]- 414.17828 223.3
[M+Na-2H]- 376.13910 191.6
[M]+ 355.16388 191.0
[M]- 355.16498 191.0
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.