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

literature stripe

Patent stripe

patents stripe