CID 378967

Nsc662559

Structural Information

Molecular Formula
C14H14N4O2
SMILES
CCOC(=O)C1=CC(=CN1C)N2C3=CC=CC=C3N=N2
InChI
InChI=1S/C14H14N4O2/c1-3-20-14(19)13-8-10(9-17(13)2)18-12-7-5-4-6-11(12)15-16-18/h4-9H,3H2,1-2H3
InChIKey
TUKRIFBJWPGQEG-UHFFFAOYSA-N
Compound name
ethyl 4-(benzotriazol-1-yl)-1-methylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11166 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11894 160.8
[M+Na]+ 293.10088 172.1
[M-H]- 269.10438 164.8
[M+NH4]+ 288.14548 176.6
[M+K]+ 309.07482 168.4
[M+H-H2O]+ 253.10892 151.6
[M+HCOO]- 315.10986 182.2
[M+CH3COO]- 329.12551 173.4
[M+Na-2H]- 291.08633 163.6
[M]+ 270.11111 166.4
[M]- 270.11221 166.4
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.