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]+ 244.144436 155.7
[M+Na]+ 266.126378 165.4
[M-H]- 242.129884 157.8
[M+NH4]+ 261.170983 172.8
[M+K]+ 282.100318 159.8
[M+H-H2O]+ 226.134420 147.8
[M+HCOO]- 288.135361 174.8
[M+CH3COO]- 302.151011 167.4
[M+Na-2H]- 264.111826 158.0
[M]+ 243.13661142 155.8
[M]- 243.13770858 155.8
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