CID 26412

Metodesnitazene

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCN(CC)CCN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OC
InChI
InChI=1S/C21H27N3O/c1-4-23(5-2)14-15-24-20-9-7-6-8-19(20)22-21(24)16-17-10-12-18(25-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3
InChIKey
SFNKTTXBZXVGOH-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

337.21542 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 184.3
[M+Na]+ 360.20464 192.0
[M-H]- 336.20814 190.6
[M+NH4]+ 355.24924 198.6
[M+K]+ 376.17858 187.2
[M+H-H2O]+ 320.21268 174.0
[M+HCOO]- 382.21362 207.3
[M+CH3COO]- 396.22927 219.0
[M+Na-2H]- 358.19009 187.4
[M]+ 337.21487 190.8
[M]- 337.21597 190.8
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