CID 320742

82585-90-8

Structural Information

Molecular Formula
C19H24N6O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)CN(C)C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C19H24N6O3/c1-4-28-19(26)24-16-9-15-17(18(20)23-16)22-12(10-21-15)11-25(2)13-5-7-14(27-3)8-6-13/h5-9,21H,4,10-11H2,1-3H3,(H3,20,23,24,26)
InChIKey
JXRPMBFHIKMFHG-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-[(4-methoxy-N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

384.19098 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19826 191.6
[M+Na]+ 407.18020 196.7
[M-H]- 383.18370 194.7
[M+NH4]+ 402.22480 198.9
[M+K]+ 423.15414 192.9
[M+H-H2O]+ 367.18824 180.4
[M+HCOO]- 429.18918 209.8
[M+CH3COO]- 443.20483 228.9
[M+Na-2H]- 405.16565 195.5
[M]+ 384.19043 192.0
[M]- 384.19153 192.0
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.