CID 21681124

Prothracarcin

Structural Information

Molecular Formula
C14H14N2O
SMILES
C/C=C/1\C[C@H]2C=NC3=CC=CC=C3C(=O)N2C1
InChI
InChI=1S/C14H14N2O/c1-2-10-7-11-8-15-13-6-4-3-5-12(13)14(17)16(11)9-10/h2-6,8,11H,7,9H2,1H3/b10-2+/t11-/m0/s1
InChIKey
GYUDGZRJHSDPLH-KJQCOJPZSA-N
Compound name
(6aS,8E)-8-ethylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1374
Patents

226.11061 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 150.1
[M+Na]+ 249.09983 161.2
[M+NH4]+ 244.14443 158.0
[M+K]+ 265.07377 157.0
[M-H]- 225.10333 151.5
[M+Na-2H]- 247.08528 154.3
[M]+ 226.11006 152.0
[M]- 226.11116 152.0
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