CID 6481556

7,7-dimethoxy-2-phenyl-2,3,5,6-tetrahydropyrrolo[1,2-a]imidazole

Structural Information

Molecular Formula
C14H18N2O2
SMILES
COC1(CCN2C1=NC(C2)C3=CC=CC=C3)OC
InChI
InChI=1S/C14H18N2O2/c1-17-14(18-2)8-9-16-10-12(15-13(14)16)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKey
QVMYALHAIJGINU-UHFFFAOYSA-N
Compound name
7,7-dimethoxy-2-phenyl-2,3,5,6-tetrahydropyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

246.13683 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 155.8
[M+Na]+ 269.12605 164.3
[M-H]- 245.12955 161.1
[M+NH4]+ 264.17065 177.0
[M+K]+ 285.09999 161.6
[M+H-H2O]+ 229.13409 148.2
[M+HCOO]- 291.13503 176.6
[M+CH3COO]- 305.15068 168.5
[M+Na-2H]- 267.11150 159.0
[M]+ 246.13628 157.4
[M]- 246.13738 157.4
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