CID 50683

69780-75-2

Structural Information

Molecular Formula
C17H19ClN4
SMILES
C1=CC=C(C=C1)CN(CCN2C3=CC=CC=C3N=N2)CCCl
InChI
InChI=1S/C17H19ClN4/c18-10-11-21(14-15-6-2-1-3-7-15)12-13-22-17-9-5-4-8-16(17)19-20-22/h1-9H,10-14H2
InChIKey
VFXXMCWWHMIEHO-UHFFFAOYSA-N
Compound name
2-(benzotriazol-1-yl)-N-benzyl-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12982 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.137096 172.6
[M+Na]+ 337.119038 181.1
[M-H]- 313.122544 176.9
[M+NH4]+ 332.163643 186.7
[M+K]+ 353.092978 174.7
[M+H-H2O]+ 297.127080 161.7
[M+HCOO]- 359.128021 190.6
[M+CH3COO]- 373.143671 183.4
[M+Na-2H]- 335.104486 178.8
[M]+ 314.12927142 178.1
[M]- 314.13036858 178.1
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.