CID 42104

1h-indole, 3-((4,5-dihydro-1h-imidazol-2-yl)methyl)-5-methoxy-2-methyl-, mononitrate

Structural Information

Molecular Formula
C14H17N3O
SMILES
CC1=C(C2=C(N1)C=CC(=C2)OC)CC3=NCCN3
InChI
InChI=1S/C14H17N3O/c1-9-11(8-14-15-5-6-16-14)12-7-10(18-2)3-4-13(12)17-9/h3-4,7,17H,5-6,8H2,1-2H3,(H,15,16)
InChIKey
JYKXRVHSQAOHLA-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-methoxy-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

243.13716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 156.0
[M+Na]+ 266.12638 168.7
[M+NH4]+ 261.17098 163.5
[M+K]+ 282.10032 165.7
[M-H]- 242.12988 157.5
[M+Na-2H]- 264.11183 161.6
[M]+ 243.13661 158.1
[M]- 243.13771 158.1
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