CID 57950374

1173155-30-0

Structural Information

Molecular Formula
C16H19BrN2O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C3=C(N2)C=C(C=C3)Br
InChI
InChI=1S/C16H19BrN2O2/c1-16(2,3)21-15(20)19-7-6-13-12(9-19)11-5-4-10(17)8-14(11)18-13/h4-5,8,18H,6-7,9H2,1-3H3
InChIKey
WJPASNZIMQXVHJ-UHFFFAOYSA-N
Compound name
tert-butyl 7-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

350.063 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07028 179.0
[M+Na]+ 373.05222 190.4
[M-H]- 349.05572 183.4
[M+NH4]+ 368.09682 197.0
[M+K]+ 389.02616 178.3
[M+H-H2O]+ 333.06026 178.7
[M+HCOO]- 395.06120 192.0
[M+CH3COO]- 409.07685 205.4
[M+Na-2H]- 371.03767 183.6
[M]+ 350.06245 197.9
[M]- 350.06355 197.9
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