CID 15950755

Bms-767778

Structural Information

Molecular Formula
C19H20Cl2N4O2
SMILES
CC1=C(C(=C2C(=N1)CN(C2=O)CC(=O)N(C)C)C3=C(C=C(C=C3)Cl)Cl)CN
InChI
InChI=1S/C19H20Cl2N4O2/c1-10-13(7-22)17(12-5-4-11(20)6-14(12)21)18-15(23-10)8-25(19(18)27)9-16(26)24(2)3/h4-6H,7-9,22H2,1-3H3
InChIKey
PECDPZCIECMGCM-UHFFFAOYSA-N
Compound name
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

406.09634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10362 197.4
[M+Na]+ 429.08556 207.8
[M-H]- 405.08906 203.4
[M+NH4]+ 424.13016 210.4
[M+K]+ 445.05950 201.3
[M+H-H2O]+ 389.09360 189.6
[M+HCOO]- 451.09454 208.4
[M+CH3COO]- 465.11019 231.5
[M+Na-2H]- 427.07101 194.1
[M]+ 406.09579 203.3
[M]- 406.09689 203.3
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