CID 362977

Nsc627509

Structural Information

Molecular Formula
C16H15BrN2O2
SMILES
COC1=C(C(=C(C=C1)Br)C(=O)N2CCC3=CC=CC=C32)N
InChI
InChI=1S/C16H15BrN2O2/c1-21-13-7-6-11(17)14(15(13)18)16(20)19-9-8-10-4-2-3-5-12(10)19/h2-7H,8-9,18H2,1H3
InChIKey
BJSYOMPNEGAUEF-UHFFFAOYSA-N
Compound name
(2-amino-6-bromo-3-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.03168 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03896 174.5
[M+Na]+ 369.02090 185.6
[M-H]- 345.02440 183.1
[M+NH4]+ 364.06550 192.6
[M+K]+ 384.99484 173.5
[M+H-H2O]+ 329.02894 172.8
[M+HCOO]- 391.02988 193.4
[M+CH3COO]- 405.04553 209.5
[M+Na-2H]- 367.00635 177.0
[M]+ 346.03113 192.7
[M]- 346.03223 192.7
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

No patent data available for this compound.