CID 2834083

Carbamic acid, (10,11-dihydro-5-((methylamino)acetyl)-5h-dibenz(b,f)azepin-3-yl)-, methyl ester

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CNCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC
InChI
InChI=1S/C19H21N3O3/c1-20-12-18(23)22-16-6-4-3-5-13(16)7-8-14-9-10-15(11-17(14)22)21-19(24)25-2/h3-6,9-11,20H,7-8,12H2,1-2H3,(H,21,24)
InChIKey
SXCMUTLJKUDEAC-UHFFFAOYSA-N
Compound name
methyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.1583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16558 178.1
[M+Na]+ 362.14752 182.9
[M-H]- 338.15102 183.2
[M+NH4]+ 357.19212 191.2
[M+K]+ 378.12146 184.5
[M+H-H2O]+ 322.15556 170.6
[M+HCOO]- 384.15650 196.9
[M+CH3COO]- 398.17215 217.1
[M+Na-2H]- 360.13297 182.9
[M]+ 339.15775 176.4
[M]- 339.15885 176.4
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