CID 2755987

77716-16-6

Structural Information

Molecular Formula
C17H19N5O4
SMILES
CC(C)(C)OC(=O)NC1=CN(C(=C1)C(=O)ON2C3=CC=CC=C3N=N2)C
InChI
InChI=1S/C17H19N5O4/c1-17(2,3)25-16(24)18-11-9-14(21(4)10-11)15(23)26-22-13-8-6-5-7-12(13)19-20-22/h5-10H,1-4H3,(H,18,24)
InChIKey
UMOAGHPTFVVSHR-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

357.1437 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15098 183.7
[M+Na]+ 380.13292 192.5
[M-H]- 356.13642 188.1
[M+NH4]+ 375.17752 195.5
[M+K]+ 396.10686 190.2
[M+H-H2O]+ 340.14096 174.8
[M+HCOO]- 402.14190 203.0
[M+CH3COO]- 416.15755 213.9
[M+Na-2H]- 378.11837 186.3
[M]+ 357.14315 190.3
[M]- 357.14425 190.3
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