CID 22262

Diisopromine

Structural Information

Molecular Formula
C21H29N
SMILES
CC(C)N(CCC(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C21H29N/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3
InChIKey
YBJKOPHEJOMRMN-UHFFFAOYSA-N
Compound name
3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

828
Patents

295.23 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.23728 176.9
[M+Na]+ 318.21922 178.8
[M-H]- 294.22272 183.4
[M+NH4]+ 313.26382 191.8
[M+K]+ 334.19316 176.0
[M+H-H2O]+ 278.22726 168.0
[M+HCOO]- 340.22820 197.3
[M+CH3COO]- 354.24385 213.9
[M+Na-2H]- 316.20467 177.0
[M]+ 295.22945 177.0
[M]- 295.23055 177.0
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