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 185.5
[M+Na]+ 386.15875 194.2
[M-H]- 362.16225 190.6
[M+NH4]+ 381.20335 197.1
[M+K]+ 402.13269 186.8
[M+H-H2O]+ 346.16679 175.1
[M+HCOO]- 408.16773 204.6
[M+CH3COO]- 422.18338 194.9
[M+Na-2H]- 384.14420 189.2
[M]+ 363.16898 185.0
[M]- 363.17008 185.0
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.