CID 3072928

145131-54-0

Structural Information

Molecular Formula
C33H40N4O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CN(C4=CC=CC=C43)CC5=CN=CC=C5
InChI
InChI=1S/C33H40N4O/c1-23(2)26-13-9-14-27(24(3)4)31(26)36-32(38)35-22-33(16-7-8-17-33)29-21-37(20-25-11-10-18-34-19-25)30-15-6-5-12-28(29)30/h5-6,9-15,18-19,21,23-24H,7-8,16-17,20,22H2,1-4H3,(H2,35,36,38)
InChIKey
VWEPDBWXFIWIQR-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-[1-(pyridin-3-ylmethyl)indol-3-yl]cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.32022 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.32750 227.3
[M+Na]+ 531.30944 229.8
[M-H]- 507.31294 238.0
[M+NH4]+ 526.35404 236.1
[M+K]+ 547.28338 222.9
[M+H-H2O]+ 491.31748 215.6
[M+HCOO]- 553.31842 244.3
[M+CH3COO]- 567.33407 233.3
[M+Na-2H]- 529.29489 222.8
[M]+ 508.31967 226.9
[M]- 508.32077 226.9
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

No patent data available for this compound.