CID 3072925

145131-51-7

Structural Information

Molecular Formula
C28H40N4O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(CCN(C)C)C2=CN(C3=CC=CC=C32)C
InChI
InChI=1S/C28H40N4O/c1-19(2)22-12-10-13-23(20(3)4)27(22)30-28(33)29-17-21(15-16-31(5)6)25-18-32(7)26-14-9-8-11-24(25)26/h8-14,18-21H,15-17H2,1-7H3,(H2,29,30,33)
InChIKey
VNRCXPDITUCMEX-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)-2-(1-methylindol-3-yl)butyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.32022 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.32750 219.2
[M+Na]+ 471.30944 221.7
[M-H]- 447.31294 226.3
[M+NH4]+ 466.35404 229.5
[M+K]+ 487.28338 218.0
[M+H-H2O]+ 431.31748 209.0
[M+HCOO]- 493.31842 239.2
[M+CH3COO]- 507.33407 249.7
[M+Na-2H]- 469.29489 214.7
[M]+ 448.31967 223.4
[M]- 448.32077 223.4
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.