CID 1077490

510762-06-8

Structural Information

Molecular Formula
C21H25N5O2
SMILES
CCN1C2=C(C=C(C1=N)C(=O)NC3CCCCC3)C(=O)N4C=CC=C(C4=N2)C
InChI
InChI=1S/C21H25N5O2/c1-3-25-17(22)15(20(27)23-14-9-5-4-6-10-14)12-16-19(25)24-18-13(2)8-7-11-26(18)21(16)28/h7-8,11-12,14,22H,3-6,9-10H2,1-2H3,(H,23,27)
InChIKey
SQHWNJZMMIIRJO-UHFFFAOYSA-N
Compound name
N-cyclohexyl-7-ethyl-6-imino-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

5
References

0
Patents

379.20084 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20812 191.1
[M+Na]+ 402.19006 205.4
[M+NH4]+ 397.23466 197.3
[M+K]+ 418.16400 197.7
[M-H]- 378.19356 195.4
[M+Na-2H]- 400.17551 196.9
[M]+ 379.20029 194.2
[M]- 379.20139 194.2
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.