CID 1077382

510761-27-0

Structural Information

Molecular Formula
C22H19N5O2
SMILES
C=CCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=CC=C3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C22H19N5O2/c1-2-11-27-19(23)16(21(28)24-14-15-8-4-3-5-9-15)13-17-20(27)25-18-10-6-7-12-26(18)22(17)29/h2-10,12-13,23H,1,11,14H2,(H,24,28)
InChIKey
XYMHBQLWNDHATA-UHFFFAOYSA-N
Compound name
N-benzyl-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

2
References

0
Patents

385.15387 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.16115 191.5
[M+Na]+ 408.14309 208.0
[M+NH4]+ 403.18769 197.3
[M+K]+ 424.11703 199.0
[M-H]- 384.14659 196.0
[M+Na-2H]- 406.12854 199.8
[M]+ 385.15332 195.0
[M]- 385.15442 195.0
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.