CID 50650

1h-benzotriazole, 1-(2-(n-(2-chloroethyl)-n-ethylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C12H17ClN4
SMILES
CCN(CCN1C2=CC=CC=C2N=N1)CCCl
InChI
InChI=1S/C12H17ClN4/c1-2-16(8-7-13)9-10-17-12-6-4-3-5-11(12)14-15-17/h3-6H,2,7-10H2,1H3
InChIKey
QLPAJRRTONFBHP-UHFFFAOYSA-N
Compound name
2-(benzotriazol-1-yl)-N-(2-chloroethyl)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11418 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12146 156.4
[M+Na]+ 275.10340 165.8
[M-H]- 251.10690 158.0
[M+NH4]+ 270.14800 173.7
[M+K]+ 291.07734 161.4
[M+H-H2O]+ 235.11144 147.4
[M+HCOO]- 297.11238 174.8
[M+CH3COO]- 311.12803 198.7
[M+Na-2H]- 273.08885 162.9
[M]+ 252.11363 162.6
[M]- 252.11473 162.6
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.