CID 1077408

510761-41-8

Structural Information

Molecular Formula
C20H21N5O2
SMILES
C=CCN1C2=C(C=C(C1=N)C(=O)NC3CCCC3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C20H21N5O2/c1-2-10-25-17(21)14(19(26)22-13-7-3-4-8-13)12-15-18(25)23-16-9-5-6-11-24(16)20(15)27/h2,5-6,9,11-13,21H,1,3-4,7-8,10H2,(H,22,26)
InChIKey
HOULIFNUZNXJEU-UHFFFAOYSA-N
Compound name
N-cyclopentyl-6-imino-2-oxo-7-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

0
References

0
Patents

363.16953 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17681 185.2
[M+Na]+ 386.15875 198.3
[M+NH4]+ 381.20335 191.0
[M+K]+ 402.13269 192.8
[M-H]- 362.16225 188.5
[M+Na-2H]- 384.14420 190.5
[M]+ 363.16898 187.6
[M]- 363.17008 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.