CID 150004

82586-01-4

Structural Information

Molecular Formula
C19H23N5O5
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC(=C(C(=C3)OC)OC)OC)N
InChI
InChI=1S/C19H23N5O5/c1-5-29-19(25)24-15-8-11-16(18(20)23-15)22-12(9-21-11)10-6-13(26-2)17(28-4)14(7-10)27-3/h6-8,21H,5,9H2,1-4H3,(H3,20,23,24,25)
InChIKey
BWJOJAFDVLMQIH-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

401.16992 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17720 196.2
[M+Na]+ 424.15914 203.3
[M-H]- 400.16264 198.6
[M+NH4]+ 419.20374 202.8
[M+K]+ 440.13308 199.6
[M+H-H2O]+ 384.16718 185.3
[M+HCOO]- 446.16812 212.9
[M+CH3COO]- 460.18377 227.7
[M+Na-2H]- 422.14459 198.6
[M]+ 401.16937 199.6
[M]- 401.17047 199.6
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.