CID 37814

37683-60-6

Structural Information

Molecular Formula
C22H26N2O
SMILES
CC1=CC2=C(C=C1)N(C3=C2CCOC4=CC=CC=C43)CCCN(C)C
InChI
InChI=1S/C22H26N2O/c1-16-9-10-20-19(15-16)17-11-14-25-21-8-5-4-7-18(21)22(17)24(20)13-6-12-23(2)3/h4-5,7-10,15H,6,11-14H2,1-3H3
InChIKey
FTJLSLWJUYVQHV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(9-methyl-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 182.2
[M+Na]+ 357.19372 190.3
[M-H]- 333.19722 190.7
[M+NH4]+ 352.23832 198.4
[M+K]+ 373.16766 189.4
[M+H-H2O]+ 317.20176 175.5
[M+HCOO]- 379.20270 201.5
[M+CH3COO]- 393.21835 193.3
[M+Na-2H]- 355.17917 186.5
[M]+ 334.20395 184.9
[M]- 334.20505 184.9
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.