CID 100668

Nsc341931

Structural Information

Molecular Formula
C16H15Cl2N5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=C(C=C(C=C3)Cl)Cl)N
InChI
InChI=1S/C16H15Cl2N5O2/c1-2-25-16(24)23-13-6-11-14(15(19)22-13)21-12(7-20-11)9-4-3-8(17)5-10(9)18/h3-6,20H,2,7H2,1H3,(H3,19,22,23,24)
InChIKey
CPDQUPLLEBTHKX-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-(2,4-dichlorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

379.06027 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.06755 184.2
[M+Na]+ 402.04949 193.5
[M-H]- 378.05299 185.7
[M+NH4]+ 397.09409 193.3
[M+K]+ 418.02343 186.0
[M+H-H2O]+ 362.05753 175.4
[M+HCOO]- 424.05847 192.0
[M+CH3COO]- 438.07412 192.5
[M+Na-2H]- 400.03494 187.3
[M]+ 379.05972 185.6
[M]- 379.06082 185.6
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

patents stripe