CID 3072918

Urea, n-(2,6-bis(1-methylethyl)phenyl)-n'-((tetrahydro-4-(1-methyl-1h-indol-3-yl)-2h-pyran-4-yl)methyl)-

Structural Information

Molecular Formula
C28H37N3O2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCOCC2)C3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C28H37N3O2/c1-19(2)21-10-8-11-22(20(3)4)26(21)30-27(32)29-18-28(13-15-33-16-14-28)24-17-31(5)25-12-7-6-9-23(24)25/h6-12,17,19-20H,13-16,18H2,1-5H3,(H2,29,30,32)
InChIKey
UCHLZNKSPJXRLJ-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[4-(1-methylindol-3-yl)oxan-4-yl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.28857 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.29585 214.5
[M+Na]+ 470.27779 217.7
[M-H]- 446.28129 223.6
[M+NH4]+ 465.32239 224.6
[M+K]+ 486.25173 213.7
[M+H-H2O]+ 430.28583 204.4
[M+HCOO]- 492.28677 230.3
[M+CH3COO]- 506.30242 239.5
[M+Na-2H]- 468.26324 212.4
[M]+ 447.28802 214.3
[M]- 447.28912 214.3
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.