CID 921709

487017-58-3

Structural Information

Molecular Formula
C12H17N3
SMILES
CCCN1C2=CC=CC=C2N(C1=N)CC
InChI
InChI=1S/C12H17N3/c1-3-9-15-11-8-6-5-7-10(11)14(4-2)12(15)13/h5-8,13H,3-4,9H2,1-2H3
InChIKey
SHDOJICOOSZOSL-UHFFFAOYSA-N
Compound name
1-ethyl-3-propylbenzimidazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.14224 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.149516 144.9
[M+Na]+ 226.131458 155.8
[M-H]- 202.134964 147.7
[M+NH4]+ 221.176063 164.9
[M+K]+ 242.105398 151.3
[M+H-H2O]+ 186.139500 137.6
[M+HCOO]- 248.140441 169.2
[M+CH3COO]- 262.156091 190.3
[M+Na-2H]- 224.116906 151.3
[M]+ 203.14169142 147.7
[M]- 203.14278858 147.7
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