CID 16076804

N-indan-2-yl-n'-[(1r,2s,4r)-1,7,7-trimethylnorbornan-2-yl]ethane-1,2-diamine

Structural Information

Molecular Formula
C21H32N2
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NCCNC3CC4=CC=CC=C4C3
InChI
InChI=1S/C21H32N2/c1-20(2)17-8-9-21(20,3)19(14-17)23-11-10-22-18-12-15-6-4-5-7-16(15)13-18/h4-7,17-19,22-23H,8-14H2,1-3H3/t17-,19+,21+/m1/s1
InChIKey
IRGQBVYVEDSKOR-LMNJBCLMSA-N
Compound name
N'-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.25656 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.26384 176.8
[M+Na]+ 335.24578 182.3
[M-H]- 311.24928 183.4
[M+NH4]+ 330.29038 202.8
[M+K]+ 351.21972 176.2
[M+H-H2O]+ 295.25382 171.3
[M+HCOO]- 357.25476 196.8
[M+CH3COO]- 371.27041 187.5
[M+Na-2H]- 333.23123 177.4
[M]+ 312.25601 175.0
[M]- 312.25711 175.0
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.