CID 4172142

Iik7

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CCCC(=O)NCCC1=C2C3=CC=CC=C3CN2C4=C1C=C(C=C4)OC
InChI
InChI=1S/C22H24N2O2/c1-3-6-21(25)23-12-11-18-19-13-16(26-2)9-10-20(19)24-14-15-7-4-5-8-17(15)22(18)24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)
InChIKey
RQYIUGOJQFWLAZ-UHFFFAOYSA-N
Compound name
N-[2-(2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

14
Patents

348.18378 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 185.7
[M+Na]+ 371.17300 194.5
[M-H]- 347.17650 191.4
[M+NH4]+ 366.21760 204.4
[M+K]+ 387.14694 188.7
[M+H-H2O]+ 331.18104 178.3
[M+HCOO]- 393.18198 207.3
[M+CH3COO]- 407.19763 196.8
[M+Na-2H]- 369.15845 187.8
[M]+ 348.18323 192.1
[M]- 348.18433 192.1
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