CID 4302963

164178-33-0

Structural Information

Molecular Formula
C23H25IN2O3
SMILES
CC1=C(C2=C(N1CCN3CCOCC3)C=C(C=C2)I)C(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
InChIKey
JHOTYHDSLIUKCJ-UHFFFAOYSA-N
Compound name
[6-iodo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

348
References

227
Patents

504.091 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.09828 200.2
[M+Na]+ 527.08022 200.1
[M-H]- 503.08372 200.8
[M+NH4]+ 522.12482 205.2
[M+K]+ 543.05416 201.5
[M+H-H2O]+ 487.08826 186.1
[M+HCOO]- 549.08920 211.3
[M+CH3COO]- 563.10485 205.1
[M+Na-2H]- 525.06567 188.3
[M]+ 504.09045 199.7
[M]- 504.09155 199.7
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