CID 84947

N,n-dibutyl-1h-benzotriazole-1-methylamine

Structural Information

Molecular Formula
C15H24N4
SMILES
CCCCN(CCCC)CN1C2=CC=CC=C2N=N1
InChI
InChI=1S/C15H24N4/c1-3-5-11-18(12-6-4-2)13-19-15-10-8-7-9-14(15)16-17-19/h7-10H,3-6,11-13H2,1-2H3
InChIKey
CODGFEFCDWSFSV-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-N-butylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

260.2001 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.207376 163.7
[M+Na]+ 283.189318 171.1
[M-H]- 259.192824 165.1
[M+NH4]+ 278.233923 179.9
[M+K]+ 299.163258 167.8
[M+H-H2O]+ 243.197360 153.9
[M+HCOO]- 305.198301 185.9
[M+CH3COO]- 319.213951 204.0
[M+Na-2H]- 281.174766 169.2
[M]+ 260.19955142 169.1
[M]- 260.20064858 169.1
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

patents stripe