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

0
Patents

337.21542 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.222696 184.3
[M+Na]+ 360.204638 192.0
[M-H]- 336.208144 190.6
[M+NH4]+ 355.249243 198.6
[M+K]+ 376.178578 187.2
[M+H-H2O]+ 320.212680 174.0
[M+HCOO]- 382.213621 207.3
[M+CH3COO]- 396.229271 219.0
[M+Na-2H]- 358.190086 187.4
[M]+ 337.21487142 190.8
[M]- 337.21596858 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