CID 6320751

Ethyl n-[5-(benzhydrylamino)-2-hydroxy-pyrido[3,4-b]pyrazin-7-yl]carbamate

Structural Information

Molecular Formula
C23H21N5O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NC(=O)C=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H21N5O3/c1-2-31-23(30)27-18-13-17-21(24-14-19(29)25-17)22(26-18)28-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,20H,2H2,1H3,(H,25,29)(H2,26,27,28,30)
InChIKey
UNIHODGLRUXEEH-UHFFFAOYSA-N
Compound name
ethyl N-[5-(benzhydrylamino)-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.16443 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.17171 197.0
[M+Na]+ 438.15365 202.1
[M-H]- 414.15715 202.0
[M+NH4]+ 433.19825 201.7
[M+K]+ 454.12759 195.4
[M+H-H2O]+ 398.16169 184.4
[M+HCOO]- 460.16263 214.4
[M+CH3COO]- 474.17828 204.0
[M+Na-2H]- 436.13910 203.2
[M]+ 415.16388 196.0
[M]- 415.16498 196.0
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.