CID 1080213

607386-03-8

Structural Information

Molecular Formula
C21H25N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C(C)C)C(=O)NC4CCCC4
InChI
InChI=1S/C21H25N5O2/c1-12(2)26-17(22)15(20(27)23-14-8-4-5-9-14)11-16-19(26)24-18-13(3)7-6-10-25(18)21(16)28/h6-7,10-12,14,22H,4-5,8-9H2,1-3H3,(H,23,27)
InChIKey
MRBUDMXQEHXWPF-UHFFFAOYSA-N
Compound name
N-cyclopentyl-6-imino-11-methyl-2-oxo-7-propan-2-yl-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

379.20084 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20812 190.5
[M+Na]+ 402.19006 203.3
[M+NH4]+ 397.23466 196.4
[M+K]+ 418.16400 198.8
[M-H]- 378.19356 193.9
[M+Na-2H]- 400.17551 195.1
[M]+ 379.20029 193.0
[M]- 379.20139 193.0
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.