CID 3066737

111049-51-5

Structural Information

Molecular Formula
C17H26BrN5O2
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)NC2=NCCN2)Br
InChI
InChI=1S/C17H26BrN5O2/c1-4-23(5-2)9-8-19-16(24)12-10-13(18)14(11-15(12)25-3)22-17-20-6-7-21-17/h10-11H,4-9H2,1-3H3,(H,19,24)(H2,20,21,22)
InChIKey
WRAKXNMTDBGULD-UHFFFAOYSA-N
Compound name
5-bromo-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

411.12698 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.13426 188.8
[M+Na]+ 434.11620 195.1
[M-H]- 410.11970 194.8
[M+NH4]+ 429.16080 201.4
[M+K]+ 450.09014 183.2
[M+H-H2O]+ 394.12424 183.9
[M+HCOO]- 456.12518 207.9
[M+CH3COO]- 470.14083 226.3
[M+Na-2H]- 432.10165 190.0
[M]+ 411.12643 207.2
[M]- 411.12753 207.2
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