CID 43148807

1-(3-ethoxypropyl)-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C12H17N3O
SMILES
CCOCCCN1C2=CC=CC=C2N=C1N
InChI
InChI=1S/C12H17N3O/c1-2-16-9-5-8-15-11-7-4-3-6-10(11)14-12(15)13/h3-4,6-7H,2,5,8-9H2,1H3,(H2,13,14)
InChIKey
SKPQUWMXHZICPQ-UHFFFAOYSA-N
Compound name
1-(3-ethoxypropyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.13716 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 148.7
[M+Na]+ 242.12638 158.2
[M-H]- 218.12988 150.5
[M+NH4]+ 237.17098 167.4
[M+K]+ 258.10032 154.5
[M+H-H2O]+ 202.13442 140.9
[M+HCOO]- 264.13536 172.4
[M+CH3COO]- 278.15101 191.3
[M+Na-2H]- 240.11183 154.9
[M]+ 219.13661 152.2
[M]- 219.13771 152.2
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.