CID 165500886

Tert-butyl n-(4-{3h,4h,5h,6h,7h-imidazo[4,5-c]pyridin-2-yl}phenyl)carbamate

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2)CNCC3
InChI
InChI=1S/C17H22N4O2/c1-17(2,3)23-16(22)19-12-6-4-11(5-7-12)15-20-13-8-9-18-10-14(13)21-15/h4-7,18H,8-10H2,1-3H3,(H,19,22)(H,20,21)
InChIKey
XJNFWLROWYPYKA-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 176.6
[M+Na]+ 337.16352 181.6
[M-H]- 313.16702 177.2
[M+NH4]+ 332.20812 188.1
[M+K]+ 353.13746 176.4
[M+H-H2O]+ 297.17156 167.8
[M+HCOO]- 359.17250 189.7
[M+CH3COO]- 373.18815 202.4
[M+Na-2H]- 335.14897 179.7
[M]+ 314.17375 172.2
[M]- 314.17485 172.2
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.