CID 6895603

1-[(e)-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyleneamino]-3-phenyl-urea

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CN1C2=C(C=C(C=C2)/C=N/NC(=O)NC3=CC=CC=C3)N(C1=O)C
InChI
InChI=1S/C17H17N5O2/c1-21-14-9-8-12(10-15(14)22(2)17(21)24)11-18-20-16(23)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,20,23)/b18-11+
InChIKey
ARRONTYQKWQPEY-WOJGMQOQSA-N
Compound name
1-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

323.1382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.145476 173.9
[M+Na]+ 346.127418 183.4
[M-H]- 322.130924 181.7
[M+NH4]+ 341.172023 188.4
[M+K]+ 362.101358 178.6
[M+H-H2O]+ 306.135460 164.2
[M+HCOO]- 368.136401 201.2
[M+CH3COO]- 382.152051 216.7
[M+Na-2H]- 344.112866 180.0
[M]+ 323.13765142 177.3
[M]- 323.13874858 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.