CID 135429826

Nsc82818

Structural Information

Molecular Formula
C15H18BrN3
SMILES
C1CCCN(CC1)/N=C/C2=CNC3=C2C=C(C=C3)Br
InChI
InChI=1S/C15H18BrN3/c16-13-5-6-15-14(9-13)12(10-17-15)11-18-19-7-3-1-2-4-8-19/h5-6,9-11,17H,1-4,7-8H2/b18-11+
InChIKey
CDCSNOYDGKIASW-WOJGMQOQSA-N
Compound name
(E)-N-(azepan-1-yl)-1-(5-bromo-1H-indol-3-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.06842 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07570 166.6
[M+Na]+ 342.05764 175.2
[M-H]- 318.06114 174.6
[M+NH4]+ 337.10224 183.5
[M+K]+ 358.03158 166.2
[M+H-H2O]+ 302.06568 164.2
[M+HCOO]- 364.06662 184.3
[M+CH3COO]- 378.08227 178.5
[M+Na-2H]- 340.04309 171.6
[M]+ 319.06787 178.2
[M]- 319.06897 178.2
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

No patent data available for this compound.