CID 1349732

78816-58-7

Structural Information

Molecular Formula
C21H25N3O3
SMILES
CN(C)CCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC
InChI
InChI=1S/C21H25N3O3/c1-23(2)13-12-20(25)24-18-7-5-4-6-15(18)8-9-16-10-11-17(14-19(16)24)22-21(26)27-3/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,22,26)
InChIKey
OZAIYDAHOMNNGT-UHFFFAOYSA-N
Compound name
methyl N-[11-[3-(dimethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

367.1896 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19688 185.7
[M+Na]+ 390.17882 194.5
[M+NH4]+ 385.22342 191.5
[M+K]+ 406.15276 189.9
[M-H]- 366.18232 188.0
[M+Na-2H]- 388.16427 189.4
[M]+ 367.18905 187.4
[M]- 367.19015 187.4
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

patents stripe