CID 1080191

685122-03-6

Structural Information

Molecular Formula
C23H23N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C(C)C)C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C23H23N5O2/c1-14(2)28-19(24)17(22(29)25-13-16-9-5-4-6-10-16)12-18-21(28)26-20-15(3)8-7-11-27(20)23(18)30/h4-12,14,24H,13H2,1-3H3,(H,25,29)
InChIKey
JQZPEPNNLCFLOQ-UHFFFAOYSA-N
Compound name
N-benzyl-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

401.18518 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19246 197.2
[M+Na]+ 424.17440 213.4
[M+NH4]+ 419.21900 203.0
[M+K]+ 440.14834 205.4
[M-H]- 400.17790 201.9
[M+Na-2H]- 422.15985 204.7
[M]+ 401.18463 200.8
[M]- 401.18573 200.8
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.