CID 3151464

510762-87-5

Structural Information

Molecular Formula
C22H27N5O3
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)NC4CCCC4
InChI
InChI=1S/C22H27N5O3/c1-14-7-5-10-27-19(14)25-20-17(22(27)29)13-16(18(23)26(20)11-6-12-30-2)21(28)24-15-8-3-4-9-15/h5,7,10,13,15,23H,3-4,6,8-9,11-12H2,1-2H3,(H,24,28)
InChIKey
HBKZNSMIRXWMIZ-UHFFFAOYSA-N
Compound name
N-cyclopentyl-6-imino-7-(3-methoxypropyl)-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

409.2114 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.21868 198.6
[M+Na]+ 432.20062 211.1
[M+NH4]+ 427.24522 203.8
[M+K]+ 448.17456 206.0
[M-H]- 408.20412 201.7
[M+Na-2H]- 430.18607 202.8
[M]+ 409.21085 200.9
[M]- 409.21195 200.9
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.