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]+ 315.181576 176.6
[M+Na]+ 337.163518 181.6
[M-H]- 313.167024 177.2
[M+NH4]+ 332.208123 188.1
[M+K]+ 353.137458 176.4
[M+H-H2O]+ 297.171560 167.8
[M+HCOO]- 359.172501 189.7
[M+CH3COO]- 373.188151 202.4
[M+Na-2H]- 335.148966 179.7
[M]+ 314.17375142 172.2
[M]- 314.17484858 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.