CID 155978298

Tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-2-chloro-1h-indole-1-carboxylate

Structural Information

Molecular Formula
C18H23ClN2O4
SMILES
CC(C)(C)OC(=O)NC1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)Cl
InChI
InChI=1S/C18H23ClN2O4/c1-17(2,3)24-15(22)20-13-11-9-7-8-10-12(11)21(14(13)19)16(23)25-18(4,5)6/h7-10H,1-6H3,(H,20,22)
InChIKey
ABAWZJJQEAQFDK-UHFFFAOYSA-N
Compound name
tert-butyl 2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.13464 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14192 187.2
[M+Na]+ 389.12386 196.3
[M-H]- 365.12736 191.6
[M+NH4]+ 384.16846 202.9
[M+K]+ 405.09780 193.1
[M+H-H2O]+ 349.13190 181.9
[M+HCOO]- 411.13284 202.1
[M+CH3COO]- 425.14849 215.3
[M+Na-2H]- 387.10931 190.4
[M]+ 366.13409 196.0
[M]- 366.13519 196.0
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.