CID 5277684

Ethyl n-(3,7-diamino-2-thioxo-1h-benzimidazol-5-yl)carbamate

Structural Information

Molecular Formula
C10H13N5O2S
SMILES
CCOC(=O)NC1=CC(=C2C(=C1)N(C(=S)N2)N)N
InChI
InChI=1S/C10H13N5O2S/c1-2-17-10(16)13-5-3-6(11)8-7(4-5)15(12)9(18)14-8/h3-4H,2,11-12H2,1H3,(H,13,16)(H,14,18)
InChIKey
UUYHPHREDXTXDF-UHFFFAOYSA-N
Compound name
ethyl N-(3,7-diamino-2-sulfanylidene-1H-benzimidazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.079 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08628 156.0
[M+Na]+ 290.06822 166.3
[M-H]- 266.07172 157.3
[M+NH4]+ 285.11282 172.1
[M+K]+ 306.04216 160.9
[M+H-H2O]+ 250.07626 149.3
[M+HCOO]- 312.07720 174.5
[M+CH3COO]- 326.09285 199.4
[M+Na-2H]- 288.05367 158.1
[M]+ 267.07845 157.0
[M]- 267.07955 157.0
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.