CID 3066738

111049-54-8

Structural Information

Molecular Formula
C19H28BrN5O2
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)NC3=NCC(N3)C)Br
InChI
InChI=1S/C19H28BrN5O2/c1-4-25-7-5-6-13(25)11-21-18(26)14-8-15(20)16(9-17(14)27-3)24-19-22-10-12(2)23-19/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,21,26)(H2,22,23,24)
InChIKey
AXZJATWBNZZIPF-UHFFFAOYSA-N
Compound name
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

437.14264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.14992 197.3
[M+Na]+ 460.13186 204.4
[M-H]- 436.13536 204.5
[M+NH4]+ 455.17646 209.3
[M+K]+ 476.10580 191.8
[M+H-H2O]+ 420.13990 193.4
[M+HCOO]- 482.14084 212.7
[M+CH3COO]- 496.15649 225.7
[M+Na-2H]- 458.11731 194.5
[M]+ 437.14209 213.2
[M]- 437.14319 213.2
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

patents stripe