CID 162796

St 93

Structural Information

Molecular Formula
C10H12ClN3
SMILES
CC1=C(C(=CC=C1)Cl)NC2=NCCN2
InChI
InChI=1S/C10H12ClN3/c1-7-3-2-4-8(11)9(7)14-10-12-5-6-13-10/h2-4H,5-6H2,1H3,(H2,12,13,14)
InChIKey
PMDBCMLUDMRNFI-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

46
Patents

209.07198 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07926 145.2
[M+Na]+ 232.06120 153.8
[M-H]- 208.06470 147.9
[M+NH4]+ 227.10580 163.2
[M+K]+ 248.03514 148.2
[M+H-H2O]+ 192.06924 137.7
[M+HCOO]- 254.07018 162.4
[M+CH3COO]- 268.08583 157.3
[M+Na-2H]- 230.04665 149.7
[M]+ 209.07143 143.2
[M]- 209.07253 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe